methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)quinoline-2-carboxylate
Chemical Structure Depiction of
methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)quinoline-2-carboxylate
methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)quinoline-2-carboxylate
Compound characteristics
| Compound ID: | L479-0059 |
| Compound Name: | methyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)quinoline-2-carboxylate |
| Molecular Weight: | 394.38 |
| Molecular Formula: | C21 H18 N2 O6 |
| Smiles: | COC(c1cc(c2ccccc2n1)OCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7848 |
| logD: | 2.7848 |
| logSw: | -3.205 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.644 |
| InChI Key: | NNDVMLCYPFFCNJ-UHFFFAOYSA-N |