2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoic acid
Chemical Structure Depiction of
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoic acid
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoic acid
Compound characteristics
| Compound ID: | 8016-1202 |
| Compound Name: | 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoic acid |
| Molecular Weight: | 276.35 |
| Molecular Formula: | C14 H16 N2 O2 S |
| Smiles: | CC(C)(C(O)=O)Sc1c(C#N)cc2CCCCc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.098 |
| logD: | 0.1078 |
| logSw: | -3.002 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.871 |
| InChI Key: | OLIWTKWBZNGGHN-UHFFFAOYSA-N |