2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(4-chlorophenyl)acetamide
2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(4-chlorophenyl)acetamide
Compound characteristics
Compound ID: | P572-4606 |
Compound Name: | 2-(5-anilino-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(4-chlorophenyl)acetamide |
Molecular Weight: | 408.85 |
Molecular Formula: | C20 H17 Cl N6 O2 |
Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3)[Cl])=O)C(N2C(Nc2ccccc2)=N1)=O |
Stereo: | ACHIRAL |
logP: | 3.5218 |
logD: | 3.5217 |
logSw: | -3.9358 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.795 |
InChI Key: | AHXVVHSUALUFGU-UHFFFAOYSA-N |