4-(methoxymethyl)-6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4-(methoxymethyl)-6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
4-(methoxymethyl)-6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1480 |
| Compound Name: | 4-(methoxymethyl)-6-methyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | Cc1cc(COC)c(C#N)c(n1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.78 |
| logD: | 2.78 |
| logSw: | -3.2385 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.629 |
| InChI Key: | GRBPOZCQHWIKGX-UHFFFAOYSA-N |