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-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F071-0500 |
| 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-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 502.91 |
| Molecular Formula: | C21 H16 Cl F N6 O4 S |
| Smiles: | CSc1c(c(N)n(CC(Nc2ccc(c(c2)[Cl])F)=O)n1)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.4354 |
| logD: | 4.428 |
| logSw: | -4.7887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.996 |
| InChI Key: | LSPYHZYSRULQDF-UHFFFAOYSA-N |