methyl 2-{[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3360-9340 |
| Compound Name: | methyl 2-{[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C29 H28 N2 O4 S |
| Smiles: | CCOc1cccc(c1)c1cc(C(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.1137 |
| logD: | 5.1744 |
| logSw: | -5.8938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.732 |
| InChI Key: | LZDPBMSJPXLCGY-UHFFFAOYSA-N |