methyl 2-{[2-(4-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-{[2-(4-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-9563 |
| Compound Name: | methyl 2-{[2-(4-chlorophenyl)quinoline-4-carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 505.04 |
| Molecular Formula: | C28 H25 Cl N2 O3 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1cc(c2ccc(cc2)[Cl])nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8784 |
| logD: | 5.9391 |
| logSw: | -6.4811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.609 |
| InChI Key: | NJHIOWVIGZRZFX-UHFFFAOYSA-N |