4-{3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
4-{3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8012-4712 |
| Compound Name: | 4-{3-(4-chlorophenyl)-11-[4-(dimethylamino)phenyl]-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid |
| Molecular Weight: | 544.05 |
| Molecular Formula: | C31 H30 Cl N3 O4 |
| Smiles: | CN(C)c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3315 |
| logD: | 2.3821 |
| logSw: | -5.8649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.826 |
| InChI Key: | UGZFCRYLVXODPS-UHFFFAOYSA-N |