2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | F071-0374 |
| Compound Name: | 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C22 H20 N6 O4 S |
| Smiles: | Cc1cccc(c1)c1nc(c2c(nn(CC(Nc3ccc4c(c3)OCO4)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.987 |
| logD: | 3.987 |
| logSw: | -4.3646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.996 |
| InChI Key: | LDHODBQKIORIEY-UHFFFAOYSA-N |