propan-2-yl 2-{[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-{[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0171 |
| Compound Name: | propan-2-yl 2-{[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C31 H32 N2 O5 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(c1cc(c2ccc(c(c2)OC)OC)nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1809 |
| logD: | 5.2416 |
| logSw: | -5.8597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.128 |
| InChI Key: | RTXWHTUMDKIHTB-UHFFFAOYSA-N |