N-(3,4-dichlorophenyl)-11-(4-methoxyphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-11-(4-methoxyphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
N-(3,4-dichlorophenyl)-11-(4-methoxyphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
Compound characteristics
| Compound ID: | 3966-4680 |
| Compound Name: | N-(3,4-dichlorophenyl)-11-(4-methoxyphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide |
| Molecular Weight: | 590.53 |
| Molecular Formula: | C31 H25 Cl2 N3 O3 S |
| Smiles: | COc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.1685 |
| logD: | 8.0686 |
| logSw: | -6.5183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.276 |
| InChI Key: | GYJZENLFTVUQFY-UHFFFAOYSA-N |