3-(4-chlorophenyl)-10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4698 |
| Compound Name: | 3-(4-chlorophenyl)-10-(cyclopropanecarbonyl)-11-(4-fluorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 486.97 |
| Molecular Formula: | C29 H24 Cl F N2 O2 |
| Smiles: | C1CC1C(N1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc12)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5771 |
| logD: | 6.2573 |
| logSw: | -6.5895 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.416 |
| InChI Key: | DAUXWKPLXFVIIO-UHFFFAOYSA-N |