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-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]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-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E744-0257 |
| 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-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C20 H17 N7 O4 S |
| Smiles: | CSc1cccc(c1)NC(Cn1c(c(c2nc(c3ccc4c(c3)OCO4)no2)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9568 |
| logD: | 2.9568 |
| logSw: | -3.3792 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.867 |
| InChI Key: | RCZZISDTOJEBBL-UHFFFAOYSA-N |