ethyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-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-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-3033 |
| Compound Name: | ethyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 507.67 |
| Molecular Formula: | C27 H29 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8058 |
| logD: | 4.8058 |
| logSw: | -4.8017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.138 |
| InChI Key: | ZUXHTSCTXMCWRV-OAQYLSRUSA-N |