4-(3-nitrophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-nitrophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-nitrophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-3966 |
| Compound Name: | 4-(3-nitrophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | C=CCSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6183 |
| logD: | 2.5499 |
| logSw: | -3.0686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.569 |
| InChI Key: | BNYLZLPJHWEEES-GFCCVEGCSA-N |