N-(3-chloro-4-fluorophenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0725 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.91 |
| Molecular Formula: | C23 H16 Cl F2 N3 O S |
| Smiles: | C1C(c2ccc(cc2)F)=Nc2ccccc2N=C1SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4339 |
| logD: | 5.4226 |
| logSw: | -6.0034 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | PLYBUVSSOGBEAG-UHFFFAOYSA-N |