4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4239 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 479.78 |
| Molecular Formula: | C20 H16 Br Cl N2 O3 S |
| Smiles: | COc1cc(cc(c1O)[Br])C1CC(NC(=C1C#N)SCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8006 |
| logD: | 3.7666 |
| logSw: | -4.3529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.025 |
| InChI Key: | BKSPGUWMMCOTNN-AWEZNQCLSA-N |