10-[(4-chlorophenyl)acetyl]-11-(2-fluorophenyl)-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-(2-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-[(4-chlorophenyl)acetyl]-11-(2-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0179 |
| Compound Name: | 10-[(4-chlorophenyl)acetyl]-11-(2-fluorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C29 H26 Cl F N2 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3F)N(C(Cc3ccc(cc3)[Cl])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3754 |
| logD: | 6.2734 |
| logSw: | -6.1845 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.637 |
| InChI Key: | UPYGBTBNPWXBAV-NDEPHWFRSA-N |