2-(benzylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
					Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
			2-(benzylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4055 | 
| Compound Name: | 2-(benzylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile | 
| Molecular Weight: | 418.51 | 
| Molecular Formula: | C24 H22 N2 O3 S | 
| Smiles: | COc1cc(ccc1O)C1C(C#N)=C(NC2CCCC(C1=2)=O)SCc1ccccc1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 3.5334 | 
| logD: | 1.018 | 
| logSw: | -3.7335 | 
| Hydrogen bond acceptors count: | 6 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 64.576 | 
| InChI Key: | WHPCBRKNLAPQOY-QFIPXVFZSA-N | 
 
				 
				