methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y200-1167 |
| Compound Name: | methyl 3-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C23 H16 N2 O5 S |
| Smiles: | COC(c1c(ccs1)NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9709 |
| logD: | 4.9483 |
| logSw: | -4.834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.999 |
| InChI Key: | XIFQPPCNZLINCO-UHFFFAOYSA-N |