methyl 4-[7-chloro-3-(4-chlorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[7-chloro-3-(4-chlorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[7-chloro-3-(4-chlorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0006 |
| Compound Name: | methyl 4-[7-chloro-3-(4-chlorophenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 493.39 |
| Molecular Formula: | C27 H22 Cl2 N2 O3 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2cc(ccc2N1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7223 |
| logD: | 6.1318 |
| logSw: | -6.5698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.651 |
| InChI Key: | YJHPXUYTSYFHDK-UHFFFAOYSA-N |