methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-7785 |
| Compound Name: | methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C30 H22 N2 O5 S |
| Smiles: | Cc1ccc(cc1)c1csc(c1C(=O)OC)NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0411 |
| logD: | 7.0322 |
| logSw: | -5.8744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.201 |
| InChI Key: | UZEOAOZIZIARFF-UHFFFAOYSA-N |