2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | P032-0674 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3cc(C)cc(C)c3)=O)C(N2C(c2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3429 |
| logD: | 4.325 |
| logSw: | -4.5572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | XAPCLSYGGPJJDD-UHFFFAOYSA-N |