methyl 2-{[2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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-{[2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-8110 |
| Compound Name: | methyl 2-{[2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 594.73 |
| Molecular Formula: | C32 H38 N2 O7 S |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cc(c(c(c1)OC)OC)OC)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9746 |
| logD: | 3.0087 |
| logSw: | -4.7904 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.879 |
| InChI Key: | AVMTWRQDADZTEJ-VWLOTQADSA-N |