10-[(4-chlorophenyl)acetyl]-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-[(4-chlorophenyl)acetyl]-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-[(4-chlorophenyl)acetyl]-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0234 |
| Compound Name: | 10-[(4-chlorophenyl)acetyl]-11-(4-ethoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 515.05 |
| Molecular Formula: | C31 H31 Cl N2 O3 |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5577 |
| logD: | 6.4161 |
| logSw: | -6.3561 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.761 |
| InChI Key: | CTKYMRBYNSQVIF-PMERELPUSA-N |