methyl 2-{[4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-7148 |
| Compound Name: | methyl 2-{[4-(2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C31 H36 N2 O6 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(ccc1OC)OC)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5249 |
| logD: | 3.559 |
| logSw: | -5.5141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.076 |
| InChI Key: | CYKJNOYVZRTFEJ-VWLOTQADSA-N |