N-(3,4-difluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-(3,4-difluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
Compound ID: | P573-6320 |
Compound Name: | N-(3,4-difluorophenyl)-2-[7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
Molecular Weight: | 410.38 |
Molecular Formula: | C20 H16 F2 N6 O2 |
Smiles: | Cc1ccc(cc1)NC1C=CN2C(N=1)=NN(CC(Nc1ccc(c(c1)F)F)=O)C2=O |
Stereo: | ACHIRAL |
logP: | 3.5761 |
logD: | 3.5727 |
logSw: | -3.6368 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.995 |
InChI Key: | NASQEMWDADLDNQ-UHFFFAOYSA-N |