ethyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 8008-6728 |
Compound Name: | ethyl 2-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Molecular Weight: | 493.65 |
Molecular Formula: | C26 H27 N3 O3 S2 |
Smiles: | CCOC(c1c2CCCCCc2sc1N1C2CCCC(C=2C(C(C#N)=C1N)c1cccs1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6767 |
logD: | 4.6767 |
logSw: | -4.5958 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.469 |
InChI Key: | NVCKZLGIMMONLV-OAQYLSRUSA-N |