10-acetyl-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0171 |
| Compound Name: | 10-acetyl-11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C29 H28 N2 O3 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc12)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6226 |
| logD: | 5.3028 |
| logSw: | -5.4904 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.176 |
| InChI Key: | YABRKLOEPOBOBE-UHFFFAOYSA-N |