N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1508 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C25 H20 N2 O5 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0069 |
| logD: | 3.0069 |
| logSw: | -3.5758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.827 |
| InChI Key: | ROUFDRCIZOUWEO-UHFFFAOYSA-N |