11-[4-(methylsulfanyl)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[4-(methylsulfanyl)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(methylsulfanyl)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3805-1446 |
| Compound Name: | 11-[4-(methylsulfanyl)phenyl]-10-pentanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C25 H28 N2 O2 S |
| Smiles: | CCCCC(N1C(C2=C(CCCC2=O)Nc2ccccc12)c1ccc(cc1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5963 |
| logD: | 5.4879 |
| logSw: | -5.3743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.909 |
| InChI Key: | VGUUXIAFHCSAFD-VWLOTQADSA-N |