ethyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
ethyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3683-0478 |
| Compound Name: | ethyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C19 H25 N3 O2 S |
| Smiles: | CCOC(CSc1c(C#N)c2CCCCc2c(n1)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7186 |
| logD: | 4.7185 |
| logSw: | -4.3728 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.507 |
| InChI Key: | GAVJTQZHXAXMPS-UHFFFAOYSA-N |