ethyl 2-{[4-(4-hydroxy-3-methoxyphenyl)-2-methyl-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
ethyl 2-{[4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[4-(4-hydroxy-3-methoxyphenyl)-2-methyl-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: | 8015-8148 |
| Compound Name: | ethyl 2-{[4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C29 H32 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C1C(C2=C(CCCC2=O)NC=1C)c1ccc(c(c1)OC)O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1904 |
| logD: | 2.325 |
| logSw: | -4.244 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.66 |
| InChI Key: | VAYYCQRFUPBYDG-DEOSSOPVSA-N |