2-{[2-hydroxy-3-(phenylmethanesulfonyl)propyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-hydroxy-3-(phenylmethanesulfonyl)propyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-hydroxy-3-(phenylmethanesulfonyl)propyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 4378-0358 |
Compound Name: | 2-{[2-hydroxy-3-(phenylmethanesulfonyl)propyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
Molecular Weight: | 402.53 |
Molecular Formula: | C20 H22 N2 O3 S2 |
Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCC(CS(Cc1ccccc1)(=O)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.86 |
logD: | 2.86 |
logSw: | -3.4368 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.112 |
InChI Key: | JYUZEZGEGIZZEK-SFHVURJKSA-N |