methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoate
Chemical Structure Depiction of
methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoate
methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoate
Compound characteristics
| Compound ID: | 8019-0372 |
| Compound Name: | methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-methylpropanoate |
| Molecular Weight: | 290.38 |
| Molecular Formula: | C15 H18 N2 O2 S |
| Smiles: | CC(C)(C(=O)OC)Sc1c(C#N)cc2CCCCc2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7895 |
| logD: | 3.7894 |
| logSw: | -3.8058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.637 |
| InChI Key: | CTPMPGOUVXWKEW-UHFFFAOYSA-N |