ethyl 2-({4-[4-(dimethylamino)phenyl]-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
ethyl 2-({4-[4-(dimethylamino)phenyl]-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
ethyl 2-({4-[4-(dimethylamino)phenyl]-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: | 8016-0249 |
| Compound Name: | ethyl 2-({4-[4-(dimethylamino)phenyl]-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: | 561.74 |
| Molecular Formula: | C32 H39 N3 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(cc1)N(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6479 |
| logD: | 3.6821 |
| logSw: | -5.468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.286 |
| InChI Key: | AYRXMBMQVZJOJK-SANMLTNESA-N |