5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
Compound ID: | D041-0176 |
Compound Name: | 5-[(3,4-dimethoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
Molecular Weight: | 364.32 |
Molecular Formula: | C18 H15 F3 N2 O3 |
Smiles: | COc1ccc(Cc2nc(c3ccc(cc3)C(F)(F)F)no2)cc1OC |
Stereo: | ACHIRAL |
logP: | 4.7131 |
logD: | 4.7131 |
logSw: | -4.6075 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 46.571 |
InChI Key: | XDZZFRMKOPXRSK-UHFFFAOYSA-N |