ethyl 2-{[2-(2-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(2-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-{[2-(2-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-4413 |
| Compound Name: | ethyl 2-{[2-(2-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 519.06 |
| Molecular Formula: | C29 H27 Cl N2 O3 S |
| Smiles: | CCOC(c1c2CCCCCCc2sc1NC(c1cc(c2ccccc2[Cl])nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8863 |
| logD: | 5.947 |
| logSw: | -6.5636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.188 |
| InChI Key: | IFZZRNCTCZPKTF-UHFFFAOYSA-N |