2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F071-0450 |
| Compound Name: | 2-{5-amino-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 518.95 |
| Molecular Formula: | C22 H20 Cl F N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(c2c(nn(CC(Nc3ccc(c(c3)[Cl])F)=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1373 |
| logD: | 4.1298 |
| logSw: | -4.7798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.142 |
| InChI Key: | ONPHUMVWXXOCLE-UHFFFAOYSA-N |