methyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-4760 |
| Compound Name: | methyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 465.59 |
| Molecular Formula: | C24 H23 N3 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1N1C2CCCC(C=2C(C(C#N)=C1N)c1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8769 |
| logD: | 3.8769 |
| logSw: | -4.4884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.559 |
| InChI Key: | JEDZKRDYNYFCLG-IBGZPJMESA-N |