3-(2H-1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2H-1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8010-4966 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7909 |
| logD: | 5.7746 |
| logSw: | -5.5722 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.592 |
| InChI Key: | NIVRUGCPUFLHMO-UHFFFAOYSA-N |