6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0206 |
| Compound Name: | 6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 381.33 |
| Molecular Formula: | C16 H10 F3 N3 O3 S |
| Smiles: | Cc1cc(c(C#N)c(n1)SCC(c1ccc(cc1)[N+]([O-])=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8065 |
| logD: | 3.8065 |
| logSw: | -4.2581 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.205 |
| InChI Key: | TZGJYBJOOIBITB-UHFFFAOYSA-N |