2-(hexylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(hexylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(hexylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3331-4094 |
| Compound Name: | 2-(hexylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 334.5 |
| Molecular Formula: | C17 H22 N2 O S2 |
| Smiles: | CCCCCCSC1=C(C#N)C(CC(N1)=O)c1c(C)ccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9101 |
| logD: | 4.8505 |
| logSw: | -4.5821 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.206 |
| InChI Key: | UWFAENVTDGMHAQ-CYBMUJFWSA-N |