11-(4-chloro-3-fluorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-chloro-3-fluorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-chloro-3-fluorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3553 |
| Compound Name: | 11-(4-chloro-3-fluorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 424.92 |
| Molecular Formula: | C23 H18 Cl F N2 O S |
| Smiles: | C1C(CC(C2C(c3ccc(c(c3)F)[Cl])Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7215 |
| logD: | 5.7095 |
| logSw: | -6.1693 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.495 |
| InChI Key: | KVRURICHFJRLLN-UHFFFAOYSA-N |