11-[3-(benzyloxy)-4-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[3-(benzyloxy)-4-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[3-(benzyloxy)-4-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0012 |
| Compound Name: | 11-[3-(benzyloxy)-4-methoxyphenyl]-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 562.67 |
| Molecular Formula: | C35 H34 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3ccc(c(c3)OCc3ccccc3)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8756 |
| logD: | 5.8593 |
| logSw: | -5.6017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.682 |
| InChI Key: | AFCNXEUGZMMRTC-UHFFFAOYSA-N |