N-[3-(methylsulfanyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C200-6261 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(10-oxo-2,3,10,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-9(1H)-yl)acetamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(C2CCCC2=Nc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3005 |
| logD: | 3.3004 |
| logSw: | -3.7623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.513 |
| InChI Key: | NOWZWCMSOBBRSM-INIZCTEOSA-N |