5-[(2-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0033 |
| Compound Name: | 5-[(2-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 351.79 |
| Molecular Formula: | C18 H14 Cl N5 O |
| Smiles: | C(C1=CC(n2c(N1)nc(c1ccccc1)n2)=O)Nc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5138 |
| logD: | 3.3107 |
| logSw: | -3.8807 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.877 |
| InChI Key: | VTZKSLJRHQBUOK-UHFFFAOYSA-N |