2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0627 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 360.88 |
| Molecular Formula: | C17 H13 Cl N2 O S2 |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCc1ccc(cc1)[Cl])c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5191 |
| logD: | 3.4837 |
| logSw: | -3.9578 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.934 |
| InChI Key: | WJHKIUITDFWMJG-ZDUSSCGKSA-N |