(2H-1,3-benzodioxol-5-yl)methyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G817-0096 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 2-(4-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C25 H19 N O5 |
| Smiles: | Cc1ccc(cc1)N1C=C(C(=O)OCc2ccc3c(c2)OCO3)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.1174 |
| logD: | 4.1174 |
| logSw: | -4.4808 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.728 |
| InChI Key: | REMYRGPETXAFGM-UHFFFAOYSA-N |