2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
Compound ID: | F071-0218 |
Compound Name: | 2-[5-amino-3-(methylsulfanyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
Molecular Weight: | 464.5 |
Molecular Formula: | C22 H20 N6 O4 S |
Smiles: | CSc1c(c(N)n(CC(Nc2ccc3c(c2)OCCO3)=O)n1)c1nc(c2ccccc2)no1 |
Stereo: | ACHIRAL |
logP: | 2.6521 |
logD: | 2.6521 |
logSw: | -3.1819 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 103.704 |
InChI Key: | HMRMUJXIMMKDQS-UHFFFAOYSA-N |