4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-5-amine
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | E595-0072 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C20 H18 N6 O3 |
| Smiles: | CC(C)c1ccc(cc1)n1c(c(c2nc(c3ccc4c(c3)OCO4)no2)nn1)N |
| Stereo: | ACHIRAL |
| logP: | 4.3196 |
| logD: | 4.3196 |
| logSw: | -4.5221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.854 |
| InChI Key: | OOTGVYVFZGAPAX-UHFFFAOYSA-N |