2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-cyanophenyl)acetamide
Compound characteristics
Compound ID: | P032-0604 |
Compound Name: | 2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-cyanophenyl)acetamide |
Molecular Weight: | 418.84 |
Molecular Formula: | C21 H15 Cl N6 O2 |
Smiles: | CC1=CC2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C(c2cccc(c2)[Cl])=N1)=O |
Stereo: | ACHIRAL |
logP: | 3.3466 |
logD: | 3.3288 |
logSw: | -3.8308 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.929 |
InChI Key: | MJFLOQDDCBEJKB-UHFFFAOYSA-N |