methyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-5206 |
| Compound Name: | methyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1N1C2CCCC(C=2C(C(C#N)=C1N)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5934 |
| logD: | 4.5934 |
| logSw: | -4.7852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.871 |
| InChI Key: | OKXYOTFASQVHJC-QFIPXVFZSA-N |