2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
Compound characteristics
Compound ID: | P032-0669 |
Compound Name: | 2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide |
Molecular Weight: | 393.83 |
Molecular Formula: | C20 H16 Cl N5 O2 |
Smiles: | CC1=CC2=NN(CC(Nc3ccccc3)=O)C(N2C(c2ccc(cc2)[Cl])=N1)=O |
Stereo: | ACHIRAL |
logP: | 3.4581 |
logD: | 3.4403 |
logSw: | -4.0745 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.873 |
InChI Key: | SCVLJXFXFDKXNB-UHFFFAOYSA-N |