10-benzoyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-benzoyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-benzoyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3805-1445 |
| Compound Name: | 10-benzoyl-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C27 H24 N2 O2 S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CCCC2=O)Nc2ccccc2N1C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4839 |
| logD: | 5.4726 |
| logSw: | -5.5007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.165 |
| InChI Key: | CNXAMYHANVQIQJ-SANMLTNESA-N |