2-{[3-cyano-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[3-cyano-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1440 |
| Compound Name: | 2-{[3-cyano-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 409.43 |
| Molecular Formula: | C18 H18 F3 N5 O S |
| Smiles: | CCn1cc(c2cc(C(F)(F)F)nc(c2C#N)SCC(NCC=C)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6153 |
| logD: | 2.6153 |
| logSw: | -2.8961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.938 |
| InChI Key: | BTWMAGRSXYPSPA-UHFFFAOYSA-N |