11-[4-(methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[4-(methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0559 |
| Compound Name: | 11-[4-(methylsulfanyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C29 H30 N2 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC2=C(C(c3ccc(cc3)SC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5351 |
| logD: | 5.5188 |
| logSw: | -5.4808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.454 |
| InChI Key: | UPGIOCQSHQIWEA-UHFFFAOYSA-N |