3-(2-chlorophenyl)-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2-chlorophenyl)-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0072 |
| Compound Name: | 3-(2-chlorophenyl)-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 484.9 |
| Molecular Formula: | C26 H20 Cl F3 N2 O2 |
| Smiles: | C1C(CC(C2C(c3ccc(cc3)OC(F)(F)F)Nc3ccccc3NC1=2)=O)c1ccccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9397 |
| logD: | 6.9234 |
| logSw: | -6.5832 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.413 |
| InChI Key: | AYLWUJRGKZVCLK-UHFFFAOYSA-N |