N-(4-chloro-2-fluorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1794 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C22 H16 Cl F N4 O S |
| Smiles: | C1C(c2ccccn2)=Nc2ccccc2N=C1SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2402 |
| logD: | 4.2283 |
| logSw: | -4.5279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.689 |
| InChI Key: | LRKYHXOUXLNTFW-UHFFFAOYSA-N |