4-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4276 |
| Compound Name: | 4-(3-bromophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 433.75 |
| Molecular Formula: | C19 H14 Br Cl N2 O S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCc1ccccc1[Cl])c1cccc(c1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.047 |
| logD: | 5.0234 |
| logSw: | -5.4054 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | WHDKMDGCRABTLW-HNNXBMFYSA-N |