methyl [(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
methyl [(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D360-5548 |
| Compound Name: | methyl [(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 262.33 |
| Molecular Formula: | C13 H14 N2 O2 S |
| Smiles: | COC(CSc1c(C#N)cc2CCCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5291 |
| logD: | 2.5291 |
| logSw: | -2.614 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.042 |
| InChI Key: | VTJFAQWPTSXAIP-UHFFFAOYSA-N |