2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F071-0337 |
| Compound Name: | 2-{5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C22 H22 N6 O3 S2 |
| Smiles: | COc1ccc(cc1)c1nc(c2c(nn(CC(Nc3cccc(c3)SC)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.228 |
| logD: | 4.228 |
| logSw: | -4.6091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.425 |
| InChI Key: | CHTGOOADHLFAQR-UHFFFAOYSA-N |