2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F071-0485 |
| 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-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | Cc1cccc(C)c1NC(Cn1c(c(c(n1)SC)c1nc(c2ccc3c(c2)OCO3)no1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 3.89 |
| logSw: | -4.3394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.601 |
| InChI Key: | JRSBQHHATSVPBS-UHFFFAOYSA-N |