2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2434-0175 |
| Compound Name: | 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C20 H15 F3 N4 O S |
| Smiles: | Cc1cc(C)n(C(CSc2c(C#N)c(cc(c3ccccc3)n2)C(F)(F)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2332 |
| logD: | 4.2332 |
| logSw: | -4.5073 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.31 |
| InChI Key: | RXRBJXAEYTVFEL-UHFFFAOYSA-N |