6-(4-methoxyphenyl)-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
6-(4-methoxyphenyl)-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
6-(4-methoxyphenyl)-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | D360-0663 |
| Compound Name: | 6-(4-methoxyphenyl)-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1)c1ccc(C#N)c(n1)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7446 |
| logD: | 4.7446 |
| logSw: | -4.6316 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.671 |
| InChI Key: | PBAULZOITWNTMA-UHFFFAOYSA-N |