4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyridine-3-carbonitrile
4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6688 |
| Compound Name: | 4-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 353.32 |
| Molecular Formula: | C15 H10 F3 N3 O2 S |
| Smiles: | Cc1cc(C(F)(F)F)nc(c1C#N)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2743 |
| logD: | 4.2743 |
| logSw: | -4.5438 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.152 |
| InChI Key: | UDIWOQBBOVGVAB-UHFFFAOYSA-N |