2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-chlorophenyl)acetamide
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | E744-0229 |
| Compound Name: | 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-1,2,3-triazol-1-yl}-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 439.82 |
| Molecular Formula: | C19 H14 Cl N7 O4 |
| Smiles: | C(C(Nc1ccc(cc1)[Cl])=O)n1c(c(c2nc(c3ccc4c(c3)OCO4)no2)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 3.0906 |
| logD: | 3.0905 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.867 |
| InChI Key: | ZBWQUGIGGWPLRM-UHFFFAOYSA-N |