2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3,4-difluorophenyl)acetamide
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
Compound ID: | F071-0384 |
Compound Name: | 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3,4-difluorophenyl)acetamide |
Molecular Weight: | 456.47 |
Molecular Formula: | C21 H18 F2 N6 O2 S |
Smiles: | Cc1cccc(c1)c1nc(c2c(nn(CC(Nc3ccc(c(c3)F)F)=O)c2N)SC)on1 |
Stereo: | ACHIRAL |
logP: | 4.5106 |
logD: | 4.5031 |
logSw: | -4.583 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 87.881 |
InChI Key: | KRMNIOMRPHEXQE-UHFFFAOYSA-N |