4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | E595-0059 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,5-dimethoxyphenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C19 H16 N6 O5 |
| Smiles: | COc1ccc(c(c1)n1c(c(c2nc(c3ccc4c(c3)OCO4)no2)nn1)N)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0973 |
| logD: | 3.0973 |
| logSw: | -3.2306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.727 |
| InChI Key: | XHNZYKBCRRZKIE-UHFFFAOYSA-N |