2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-methylphenyl)acetamide
2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P032-0003 |
| Compound Name: | 2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(C)c3)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.31 |
| logD: | 3.2768 |
| logSw: | -3.5682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | VNRSQIZEAFMEJH-UHFFFAOYSA-N |