2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | P032-0617 |
| Compound Name: | 2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C20 H15 Cl F N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3)F)=O)C(N2C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7212 |
| logD: | 3.7035 |
| logSw: | -4.1354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | JTSUACLQBHEMOO-UHFFFAOYSA-N |