methyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
methyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3966-1173 |
| Compound Name: | methyl {[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C18 H23 N3 O2 S |
| Smiles: | COC(CSc1c(C#N)c2CCCCc2c(n1)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1274 |
| logD: | 4.1274 |
| logSw: | -4.1823 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.927 |
| InChI Key: | GKNOEJHEOCUKOQ-UHFFFAOYSA-N |