1-{[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane
Structure Info
- Chemspace ID
- CSSB00121609137 (In-Stock Building Blocks)
- MFCD
- MFCD18067484
- IUPAC Name
- 1-{[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane
- Mol formula
- C19H25N5O3S
- Mol weight
- 404 Da
- Catalog Number(s)
- 9200560, AA029FOP, AO-365/43463287, BL99365, CSC121609137, IB07-0956, LN00850217, OSSL_490443, ST029H89, STL145823, STOCK7S-06964, TX029GX5
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.68
- Heavy atoms count
- 28
- Rotatable bond count
- 6
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.526
- Polar surface area (Å)
- 74
- Hydrogen bond acceptors count
- 7
- Hydrogen bond donors count
- 0
![Chemical structure of 1-{[6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}azepane (C19H25N5O3S) - CSSB00121609137](/st/structure/200/a4fca502b6ba5dc7ec061f503123b0da/COC1%253DCC%2528%253DCC%2528OC%2529%253DC1OC%2529C1%253DNN2C%2528CN3CCCCCC3%2529%253DNN%253DC2S1.png "C19H25N5O3S")
- Zoom the structure
- CSSB00121609137
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-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole; CAS: 1246046-59-2 | ||||||
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