2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide
2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide
Compound characteristics
Compound ID: | F071-0296 |
Compound Name: | 2-{5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(2-chloro-4-methylphenyl)acetamide |
Molecular Weight: | 468.96 |
Molecular Formula: | C22 H21 Cl N6 O2 S |
Smiles: | Cc1ccc(cc1)c1nc(c2c(nn(CC(Nc3ccc(C)cc3[Cl])=O)c2N)SC)on1 |
Stereo: | ACHIRAL |
logP: | 4.9319 |
logD: | 4.9317 |
logSw: | -5.0946 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 87.183 |
InChI Key: | INBOEVSBOHOATM-UHFFFAOYSA-N |