N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroacetamide
Chemical Structure Depiction of
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroacetamide
N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroacetamide
Compound characteristics
Compound ID: | 8018-7531 |
Compound Name: | N-[(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methyl]-2,2,2-trifluoroacetamide |
Molecular Weight: | 450.41 |
Molecular Formula: | C22 H21 F3 N2 O5 |
Smiles: | COc1ccc(cc1OC)C(c1c2cc(c(cc2ccn1)OC)OC)NC(C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3777 |
logD: | 3.1817 |
logSw: | -3.6345 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.072 |
InChI Key: | BCAKNGMJQJYGQI-IBGZPJMESA-N |