methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-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-4-(4-chlorophenyl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7118 |
| Compound Name: | methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 508.04 |
| Molecular Formula: | C27 H26 Cl N3 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1839 |
| logD: | 5.1839 |
| logSw: | -5.9589 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.871 |
| InChI Key: | VMZDIKWCDJEFGL-JOCHJYFZSA-N |