7-chloro-3-(4-chlorophenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-chloro-3-(4-chlorophenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-chloro-3-(4-chlorophenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-6898 |
| Compound Name: | 7-chloro-3-(4-chlorophenyl)-10-hexanoyl-11-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 563.52 |
| Molecular Formula: | C32 H32 Cl2 N2 O3 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2cc(ccc12)[Cl])c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.563 |
| logD: | 6.642 |
| logSw: | -6.603 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.181 |
| InChI Key: | CRVCAZUSXJBDTC-UHFFFAOYSA-N |