2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0044 |
| Compound Name: | 2-{[2-(ethanesulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 310.43 |
| Molecular Formula: | C14 H18 N2 O2 S2 |
| Smiles: | CCS(CCSc1c(C#N)cc2CCCCc2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0781 |
| logD: | 2.0781 |
| logSw: | -2.387 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.764 |
| InChI Key: | XKVGIRTZXPRDLZ-UHFFFAOYSA-N |