4-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-7834 |
| Compound Name: | 4-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CC(=C)CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4637 |
| logD: | 2.3953 |
| logSw: | -2.7167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.366 |
| InChI Key: | MPSUUKLRZQZSKB-GFCCVEGCSA-N |