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 |