methyl 4-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
Compound characteristics
| Compound ID: | K407-0380 |
| Compound Name: | methyl 4-({2-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate |
| Molecular Weight: | 531.56 |
| Molecular Formula: | C30 H29 N O8 |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(/C=C/c1ccc2c(c1)OCO2)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7571 |
| logD: | 4.7571 |
| logSw: | -4.5407 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.336 |
| InChI Key: | NUWMDLRUMZGZGG-DEOSSOPVSA-N |