1-{2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
Structure Info
- Chemspace ID
- CSSB00121689152 (In-Stock Building Blocks)
- MFCD
- MFCD03490210
- IUPAC Name
- 1-{2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one
- Mol formula
- C25H20ClN3OS3
- Mol weight
- 510 Da
- Catalog Number(s)
- AA01ZOE9, AJ-292/41685735, BH44093, CSC121689152, OSSK_540714, ST01ZPXT, STK136908, STOCK3S-48433, TX01ZPMP, Y020-5773
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 7.28
- Heavy atoms count
- 33
- Rotatable bond count
- 6
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.16
- Polar surface area (Å)
- 46
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
![Chemical structure of 1-{2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one (C25H20ClN3OS3) - CSSB00121689152](/st/structure/200/3a3521906715cd7ba3d5466a863f6fa2/ClC1%253DCC%253DC%2528CSC2%253DNN%253DC%2528SCC%2528%253DO%2529N3C4%253DCC%253DCC%253DC4CCC4%253DCC%253DCC%253DC34%2529S2%2529C%253DC1.png "C25H20ClN3OS3")
- Zoom the structure
- CSSB00121689152
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: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone; CAS: 511513-93-2 | ||||||
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