N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
Compound ID: | V006-6059 |
Compound Name: | N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
Molecular Weight: | 501.54 |
Molecular Formula: | C28 H27 N3 O6 |
Smiles: | COc1ccc(CCN(CCc2nc(c3ccc4c(c3)OCO4)no2)C(c2ccccc2)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 4.3717 |
logD: | 4.3717 |
logSw: | -4.4173 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 79.854 |
InChI Key: | ULYCTEIHRZCKTD-UHFFFAOYSA-N |