4-(3-chlorophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-chlorophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-chlorophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-4027 |
| Compound Name: | 4-(3-chlorophenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 304.8 |
| Molecular Formula: | C15 H13 Cl N2 O S |
| Smiles: | C=CCSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3489 |
| logD: | 3.2805 |
| logSw: | -3.7432 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | UQUDWMFKWADGRH-LBPRGKRZSA-N |