methyl 2-{[2-(3-methylphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-methylphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(3-methylphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2889-0069 |
| Compound Name: | methyl 2-{[2-(3-methylphenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C28 H26 N2 O3 S |
| Smiles: | Cc1cccc(c1)c1cc(C(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.0352 |
| logD: | 5.0959 |
| logSw: | -5.8872 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.609 |
| InChI Key: | BZDYXXMCMYKXOP-UHFFFAOYSA-N |