N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y502-6801 |
| Compound Name: | N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-{[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.88 |
| Molecular Formula: | C20 H15 Cl F3 N5 O S |
| Smiles: | Cc1cc(C(F)(F)F)nc(c1C#N)SCC(Nc1c(cn(Cc2ccccc2)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5021 |
| logD: | 4.447 |
| logSw: | -4.7395 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.841 |
| InChI Key: | KPKLWLZREDDDLR-UHFFFAOYSA-N |