2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F071-0252 |
| Compound Name: | 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | CSc1c(c(N)n(CC(NCc2ccc3c(c2)OCO3)=O)n1)c1nc(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.1704 |
| logD: | 3.1704 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.319 |
| InChI Key: | ODFBPTQFGPDHIP-UHFFFAOYSA-N |