4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0104 |
| Compound Name: | 4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.212 |
| logD: | 3.212 |
| logSw: | -3.434 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.205 |
| InChI Key: | JOKWNXADABKPAG-UHFFFAOYSA-N |