methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-6-methylquinoline-2-carboxylate
Chemical Structure Depiction of
methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-6-methylquinoline-2-carboxylate
methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-6-methylquinoline-2-carboxylate
Compound characteristics
| Compound ID: | L479-0147 |
| Compound Name: | methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)-6-methylquinoline-2-carboxylate |
| Molecular Weight: | 408.41 |
| Molecular Formula: | C22 H20 N2 O6 |
| Smiles: | Cc1ccc2c(c1)c(cc(C(=O)OC)n2)OCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.322 |
| logD: | 3.322 |
| logSw: | -3.4977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.644 |
| InChI Key: | PTHLQJJQJPPGEU-UHFFFAOYSA-N |