ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3966-1193 |
| Compound Name: | ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCOC(CSc1c(C#N)c2CCCCc2c(n1)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5599 |
| logD: | 3.5599 |
| logSw: | -3.8363 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.415 |
| InChI Key: | KMTVBISJYVNNSS-UHFFFAOYSA-N |