ethyl 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
ethyl 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
ethyl 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: | 8009-6352 |
Compound Name: | ethyl 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: | 522.07 |
Molecular Formula: | C28 H28 Cl N3 O3 S |
Smiles: | CCOC(c1c2CCCCCc2sc1N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc(cc1)[Cl])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5662 |
logD: | 5.5662 |
logSw: | -6.3259 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.451 |
InChI Key: | IICYZOQDUQHQCK-HSZRJFAPSA-N |