1-{[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane
Structure Info
- Chemspace ID
- CSSB00121608330 (In-Stock Building Blocks)
- MFCD
- MFCD18067470
- IUPAC Name
- 1-{[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane
- Mol formula
- C16H18ClN5S
- Mol weight
- 348 Da
- Catalog Number(s)
- 9280060, AA029FO9, AO-365/43463269, BL99349, CSC121608330, IB06-7040, LN00844069, OSSL_451168, ST029H7T, STL086138, STOCK7S-06943, TX029GWP
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.76
- Heavy atoms count
- 23
- Rotatable bond count
- 3
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.437
- Polar surface area (Å)
- 46
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
![Chemical structure of 1-{[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane (C16H18ClN5S) - CSSB00121608330](/st/structure/200/e997a186fbccd3d927fb4fb189445e2a/ClC1%253DCC%253DCC%253DC1C1%253DNN2C%2528CN3CCCCCC3%2529%253DNN%253DC2S1.png "C16H18ClN5S")
- Zoom the structure
- CSSB00121608330
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 100 mg | 317.90 | |
Description: 3-(1-azepanylmethyl)-6-(2-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; CAS: 1246071-22-6 | ||||||
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Substructure Analogs
![Chemical structure of 1-{[6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane - CSSB00121609144](/st/structure/200/93491211b0b571db407a8d75609511c9/ClC1%253DCC%253DC%2528C2%253DNN3C%2528CN4CCCCCC4%2529%253DNN%253DC3S2%2529C%2528Cl%2529%253DC1.png)
Similarity Analogs
![Chemical structure of 1-{[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}piperidine - CSSB00121608381](/st/structure/200/e965c9bbd12f637e2b247c2bb8d8e56c/ClC1%253DCC%253DCC%253DC1C1%253DNN2C%2528CN3CCCCC3%2529%253DNN%253DC2S1.png)
![Chemical structure of 6-(2-chlorophenyl)-3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole - CSSB00121606657](/st/structure/200/0a76ea9396bd7879e5c5d3013d5b9d8f/CC%2528C%2529CC1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%253DC1Cl.png)
![Chemical structure of 1-{[6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}piperidine - CSSB00121609250](/st/structure/200/1626499d1eb83b3f83e14e53bb180d10/BrC1%253DCC%253DCC%253DC1C1%253DNN2C%2528CN3CCCCC3%2529%253DNN%253DC2S1.png)
![Chemical structure of 1-{[6-(2-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane - CSSB00121608331](/st/structure/200/e6826cff6629356728f99ba10194d7b7/BrC1%253DCC%253DCC%253DC1C1%253DNN2C%2528CN3CCCCCC3%2529%253DNN%253DC2S1.png)
![Chemical structure of 1-{[6-(naphthalen-1-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}piperidine - CSSB00121609235](/st/structure/200/df6d36dc4cce7e97d7140a180f7c4920/C%2528N1CCCCC1%2529C1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC2%253DCC%253DCC%253DC12.png)
![Chemical structure of 1-({6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)piperidine - CSSB00121609254](/st/structure/200/31cc542d0d2c4e8fabe605145e333462/C%2528N1CCCCC1%2529C1%253DNN%253DC2SC%2528%253DNN12%2529C1%253DCC%253DCC%253DC1.png)
