2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0211 |
| Compound Name: | 2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 445.33 |
| Molecular Formula: | C20 H17 Br N2 O3 S |
| Smiles: | COc1cc(cc(c1O)[Br])C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2059 |
| logD: | 3.1719 |
| logSw: | -3.4429 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.025 |
| InChI Key: | GRRIWGFTPWBCRR-AWEZNQCLSA-N |