ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 8008-2741 |
Compound Name: | ethyl 2-[2-amino-3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 546.65 |
Molecular Formula: | C29 H30 N4 O5 S |
Smiles: | CCOC(c1c2CCCCc2sc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1cccc(c1)[N+]([O-])=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9651 |
logD: | 4.9651 |
logSw: | -4.9341 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 107.502 |
InChI Key: | YHZRXEVLJIHDRU-QHCPKHFHSA-N |