2-(butylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(butylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-(butylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4222 |
| Compound Name: | 2-(butylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | CCCCSC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(c(c1)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7733 |
| logD: | 1.0195 |
| logSw: | -3.6475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.848 |
| InChI Key: | XGSLVADBKLYZSL-IBGZPJMESA-N |