N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1755 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.92 |
| Molecular Formula: | C23 H16 Cl F3 N4 O S |
| Smiles: | C1C(c2ccccn2)=Nc2ccccc2N=C1SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8433 |
| logD: | 4.8002 |
| logSw: | -5.1012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.689 |
| InChI Key: | SWJAMXPYQANDSS-UHFFFAOYSA-N |