2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4225 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C24 H21 Cl N2 O3 S |
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4697 |
| logD: | 2.1169 |
| logSw: | -4.4861 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.576 |
| InChI Key: | XIVYPEZCSYGSBG-QFIPXVFZSA-N |