ethyl 2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-4872 |
| Compound Name: | ethyl 2-[2-amino-4-(2H-1,3-benzodioxol-5-yl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0536 |
| logD: | 5.0536 |
| logSw: | -5.0054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.235 |
| InChI Key: | MVYBBMPCHPAWFS-DEOSSOPVSA-N |