2-{[2-(phenylmethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(phenylmethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(phenylmethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0046 |
| Compound Name: | 2-{[2-(phenylmethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C19 H20 N2 O2 S2 |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCCS(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1997 |
| logD: | 3.1997 |
| logSw: | -3.4823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.492 |
| InChI Key: | LRVZMWVRHWRLOP-UHFFFAOYSA-N |