propyl 2-{[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-{[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0186 |
| Compound Name: | propyl 2-{[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 553.51 |
| Molecular Formula: | C29 H26 Cl2 N2 O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(c1cc(c2ccc(c(c2)[Cl])[Cl])nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.8422 |
| logD: | 6.9029 |
| logSw: | -6.6869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.483 |
| InChI Key: | HCKWCNVCRFVWML-UHFFFAOYSA-N |