methyl 6-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
methyl 6-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E456-1629 |
| Compound Name: | methyl 6-{[2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]amino}-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 472.45 |
| Molecular Formula: | C26 H20 N2 O7 |
| Smiles: | COC(c1cc2c(cc1NC(C1=CN(C(c3ccccc13)=O)c1ccc(cc1)OC)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4354 |
| logD: | 1.6684 |
| logSw: | -3.8978 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.981 |
| InChI Key: | CCTNTRGKANPMOJ-UHFFFAOYSA-N |