methyl 2-{[2-(4-propoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-propoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(4-propoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-9985 |
| Compound Name: | methyl 2-{[2-(4-propoxyphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C30 H30 N2 O4 S |
| Smiles: | CCCOc1ccc(cc1)c1cc(C(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.7471 |
| logD: | 5.8078 |
| logSw: | -5.9583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.026 |
| InChI Key: | UUXWGXGLBVLLPT-UHFFFAOYSA-N |