ethyl {6,7-diethoxy-2-[2-(3-ethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
ethyl {6,7-diethoxy-2-[2-(3-ethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
ethyl {6,7-diethoxy-2-[2-(3-ethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
Compound ID: | E730-0954 |
Compound Name: | ethyl {6,7-diethoxy-2-[2-(3-ethylanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
Molecular Weight: | 468.59 |
Molecular Formula: | C27 H36 N2 O5 |
Smiles: | CCc1cccc(c1)NC(CN1CCc2cc(c(cc2C1CC(=O)OCC)OCC)OCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8286 |
logD: | 3.827 |
logSw: | -3.8337 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.064 |
InChI Key: | LYNGYRZCBIDUAP-QHCPKHFHSA-N |