N-(3-chlorophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(3-chlorophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
Compound ID: | M446-1430 |
Compound Name: | N-(3-chlorophenyl)-2-[8-(2,3-dimethylphenoxy)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
Molecular Weight: | 423.86 |
Molecular Formula: | C21 H18 Cl N5 O3 |
Smiles: | Cc1cccc(c1C)OC1C2=NN(CC(Nc3cccc(c3)[Cl])=O)C(N2C=CN=1)=O |
Stereo: | ACHIRAL |
logP: | 3.7358 |
logD: | 3.7357 |
logSw: | -4.1596 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.301 |
InChI Key: | QWDATYLSFIIPLK-UHFFFAOYSA-N |