methyl [2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Chemical Structure Depiction of
methyl [2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
methyl [2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
Compound characteristics
Compound ID: | J036-0114 |
Compound Name: | methyl [2-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate |
Molecular Weight: | 452.53 |
Molecular Formula: | C21 H28 N2 O7 S |
Smiles: | CCOc1cc2CCN(C(CC(=O)OC)c2cc1OCC)S(c1c(C)noc1C)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.3258 |
logD: | 1.3258 |
logSw: | -1.9964 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 88.962 |
InChI Key: | RAAGXOCBNYLWOX-KRWDZBQOSA-N |