2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F071-0540 |
| Compound Name: | 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 508.91 |
| Molecular Formula: | C21 H16 Cl F3 N6 O2 S |
| Smiles: | CSc1c(c(N)n(CC(Nc2cccc(c2)C(F)(F)F)=O)n1)c1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4226 |
| logD: | 5.4222 |
| logSw: | -6.196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.881 |
| InChI Key: | RUTGIJYMSHKTKQ-UHFFFAOYSA-N |