(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 3,4,5-trimethoxybenzoate
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 4052-3375 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C27 H23 N O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)OC(c1ccc2c(c1)OCO2)c1c2ccccc2ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0117 |
| logD: | 5.0116 |
| logSw: | -5.3594 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.741 |
| InChI Key: | DXKMSZYGKZDGJL-VWLOTQADSA-N |