methyl 2-({2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-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-({2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-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-4-[4-(methylsulfanyl)phenyl]-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: | 8015-8053 |
| Compound Name: | methyl 2-({2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 550.74 |
| Molecular Formula: | C30 H34 N2 O4 S2 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)SC)C(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8949 |
| logD: | 3.9291 |
| logSw: | -5.6646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.901 |
| InChI Key: | ZFWICVJLUXXQCJ-DEOSSOPVSA-N |