3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(thiophene-2-carbonyl)-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-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4780-0114 |
| Compound Name: | 3-(4-chlorophenyl)-11-(4-fluorophenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 529.03 |
| Molecular Formula: | C30 H22 Cl F N2 O2 S |
| Smiles: | C1C(CC(C2C(c3ccc(cc3)F)N(C(c3cccs3)=O)c3ccccc3NC1=2)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2927 |
| logD: | 7.2486 |
| logSw: | -6.6493 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.911 |
| InChI Key: | XFRSXAFAHXIXAV-UHFFFAOYSA-N |