methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | C116-0071 |
| Compound Name: | methyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 366.33 |
| Molecular Formula: | C19 H14 N2 O6 |
| Smiles: | COC(C1=CN(C(c2ccccc12)=O)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6541 |
| logD: | 1.6513 |
| logSw: | -2.5053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.35 |
| InChI Key: | NGNSWKMXWZYEFX-UHFFFAOYSA-N |