(2H-1,3-benzodioxol-5-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-0125 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C25 H19 N O6 |
| Smiles: | COc1cccc(c1)N1C=C(C(=O)OCc2ccc3c(c2)OCO3)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.873 |
| logD: | 3.873 |
| logSw: | -4.1941 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.271 |
| InChI Key: | DHCZLVPBQPIVGV-UHFFFAOYSA-N |