2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y502-0213 |
| Compound Name: | 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 433.41 |
| Molecular Formula: | C19 H14 F3 N5 O2 S |
| Smiles: | Cc1c(c(C)n(CSc2c(C#N)c(cc(C(F)(F)F)n2)c2ccccc2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6548 |
| logD: | 4.6548 |
| logSw: | -4.7623 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.96 |
| InChI Key: | RTJARSFDGOCJJN-UHFFFAOYSA-N |