methyl 4-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0147 |
| Compound Name: | methyl 4-{[2-(2H-1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 505.52 |
| Molecular Formula: | C28 H27 N O8 |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1ccc2c(c1)OCO2)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1021 |
| logD: | 4.1021 |
| logSw: | -4.2501 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.863 |
| InChI Key: | NZXPEPXWNNALMO-QFIPXVFZSA-N |