6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1434 |
| Compound Name: | 6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 336.33 |
| Molecular Formula: | C16 H11 F3 N2 O S |
| Smiles: | Cc1cc(c(C#N)c(n1)SCC(c1ccccc1)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7758 |
| logD: | 3.7758 |
| logSw: | -4.2086 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.824 |
| InChI Key: | MWPCBJICDKVVBM-UHFFFAOYSA-N |