5-(anilinomethyl)-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(anilinomethyl)-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-(anilinomethyl)-2-(4-chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0081 |
| Compound Name: | 5-(anilinomethyl)-2-(4-chlorophenyl)[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(c1ccc(cc1)[Cl])n2)=O)Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.673 |
| logD: | 3.4699 |
| logSw: | -4.3197 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.575 |
| InChI Key: | WQTJWFBIFKPSFD-UHFFFAOYSA-N |