3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4697 |
| Compound Name: | 3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 613.09 |
| Molecular Formula: | C35 H30 Cl F N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc12)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0108 |
| logD: | 6.9689 |
| logSw: | -6.4031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.871 |
| InChI Key: | JHUWBRMIAWMIAU-UHFFFAOYSA-N |