2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F071-0478 |
| Compound Name: | 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 482.49 |
| Molecular Formula: | C22 H19 F N6 O4 S |
| Smiles: | Cc1ccc(cc1F)NC(Cn1c(c(c(n1)SC)c1nc(c2ccc3c(c2)OCO3)no1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3551 |
| logD: | 4.3549 |
| logSw: | -4.6734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.996 |
| InChI Key: | VKABVAAITRBTGK-UHFFFAOYSA-N |