2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chlorophenyl)acetamide
2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chlorophenyl)acetamide
Compound characteristics
Compound ID: | F071-0455 |
Compound Name: | 2-{5-amino-4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(3-chlorophenyl)acetamide |
Molecular Weight: | 484.92 |
Molecular Formula: | C21 H17 Cl N6 O4 S |
Smiles: | CSc1c(c(N)n(CC(Nc2cccc(c2)[Cl])=O)n1)c1nc(c2ccc3c(c2)OCO3)no1 |
Stereo: | ACHIRAL |
logP: | 4.4589 |
logD: | 4.4587 |
logSw: | -4.7136 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 104.996 |
InChI Key: | FLPZYMILBWWRJO-UHFFFAOYSA-N |