methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-methylbenzoate
Chemical Structure Depiction of
methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-methylbenzoate
methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-methylbenzoate
Compound characteristics
| Compound ID: | Y205-2432 |
| Compound Name: | methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-methylbenzoate |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C26 H20 N2 O5 |
| Smiles: | Cc1ccc(cc1NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6051 |
| logD: | 5.6051 |
| logSw: | -5.6884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.98 |
| InChI Key: | QFYSMWSGLTUGRL-UHFFFAOYSA-N |