(2H-1,3-benzodioxol-5-yl)methyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-1578 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CC(C)CN1C=C(C(=O)OCc2ccc3c(c2)OCO3)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6326 |
| logD: | 3.6326 |
| logSw: | -3.8995 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.445 |
| InChI Key: | KMWVGBJKSAPWJI-UHFFFAOYSA-N |