methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-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-7,7-dimethyl-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-7,7-dimethyl-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: | 8009-0430 |
Compound Name: | methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
Molecular Weight: | 536.09 |
Molecular Formula: | C29 H30 Cl N3 O3 S |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(C(=O)OC)c3CCCCCc3s2)c2ccc(cc2)[Cl])C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8089 |
logD: | 5.8089 |
logSw: | -6.3854 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.871 |
InChI Key: | MWZTZVKFAIUFTG-HSZRJFAPSA-N |