4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-1H-1,2,3-triazol-5-amine
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3-chloro-4-methoxyphenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | E595-0073 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(3-chloro-4-methoxyphenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 412.79 |
| Molecular Formula: | C18 H13 Cl N6 O4 |
| Smiles: | COc1ccc(cc1[Cl])n1c(c(c2nc(c3ccc4c(c3)OCO4)no2)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 3.3516 |
| logD: | 3.3516 |
| logSw: | -3.7073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.484 |
| InChI Key: | YCOWJWGAZSTZAG-UHFFFAOYSA-N |