2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide
Compound characteristics
| Compound ID: | F071-0351 |
| Compound Name: | 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-benzylacetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | COc1ccc(cc1)c1nc(c2c(nn(CC(NCc3ccccc3)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.3448 |
| logD: | 3.3448 |
| logSw: | -3.7147 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.747 |
| InChI Key: | XHRIKYUYMFIEKG-UHFFFAOYSA-N |