ethyl 2-[2-amino-3-cyano-4-(4-ethylphenyl)-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-3-cyano-4-(4-ethylphenyl)-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-3-cyano-4-(4-ethylphenyl)-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: | 8008-2743 |
| Compound Name: | ethyl 2-[2-amino-3-cyano-4-(4-ethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C31 H35 N3 O3 S |
| Smiles: | CCc1ccc(cc1)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1c(C(=O)OCC)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0312 |
| logD: | 6.0312 |
| logSw: | -5.4938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.12 |
| InChI Key: | UXKOJQZMWZKOFG-VWLOTQADSA-N |