3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4038-0032 |
| Compound Name: | 3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 539.98 |
| Molecular Formula: | C29 H25 Cl F3 N3 O2 |
| Smiles: | CN(C)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1C(C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6663 |
| logD: | 6.3465 |
| logSw: | -6.4719 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.969 |
| InChI Key: | VCLFCRQKXIGSCR-UHFFFAOYSA-N |