3-(3,4-dichlorophenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dichlorophenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4705 |
| Compound Name: | 3-(3,4-dichlorophenyl)-10-hexanoyl-11-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 547.53 |
| Molecular Formula: | C32 H32 Cl2 N2 O2 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)[Cl])[Cl])Nc2ccccc12)c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.9583 |
| logD: | 8.6385 |
| logSw: | -6.4345 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.637 |
| InChI Key: | UMUDVBGORMEWBM-UHFFFAOYSA-N |