methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y509-0465 |
| Compound Name: | methyl 2-{[2-(2H-1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C26 H20 N2 O5 S |
| Smiles: | COC(c1c2CCCc2sc1NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6803 |
| logD: | 3.7206 |
| logSw: | -5.7298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.759 |
| InChI Key: | LBYISAINTLCGCK-UHFFFAOYSA-N |