2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0547 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 372.85 |
| Molecular Formula: | C19 H14 Cl F N2 O S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCc1ccc(cc1)[Cl])c1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0309 |
| logD: | 4.0072 |
| logSw: | -4.6298 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | HNSMCWPWVRTPBJ-OAHLLOKOSA-N |