11-(3,4-dichlorophenyl)-10-{[4-(4-fluorophenyl)piperazin-1-yl]acetyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dichlorophenyl)-10-{[4-(4-fluorophenyl)piperazin-1-yl]acetyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dichlorophenyl)-10-{[4-(4-fluorophenyl)piperazin-1-yl]acetyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8017-2529 |
| Compound Name: | 11-(3,4-dichlorophenyl)-10-{[4-(4-fluorophenyl)piperazin-1-yl]acetyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 607.56 |
| Molecular Formula: | C33 H33 Cl2 F N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[Cl])[Cl])N(C(CN3CCN(CC3)c3ccc(cc3)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7346 |
| logD: | 6.4362 |
| logSw: | -6.3625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.902 |
| InChI Key: | REDLNMWYGSLDET-YTTGMZPUSA-N |