N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
Compound characteristics
Compound ID: | P496-2028 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide |
Molecular Weight: | 354.34 |
Molecular Formula: | C18 H15 F N4 O3 |
Smiles: | C(c1ccc(cc1)F)c1nc(CC(Nc2ccc3c(c2)OCO3)=O)[nH]n1 |
Stereo: | ACHIRAL |
logP: | 2.7647 |
logD: | 2.7621 |
logSw: | -3.2447 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.998 |
InChI Key: | JTGCGZWXDPEYJN-UHFFFAOYSA-N |