2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
Compound characteristics
| Compound ID: | F071-0445 |
| Compound Name: | 2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C23 H24 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(c2c(nn(CC(NCc3ccccc3)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.9849 |
| logD: | 2.9849 |
| logSw: | -3.4637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.464 |
| InChI Key: | NPYHHZMBVRDYIJ-UHFFFAOYSA-N |