2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methylphenyl)acetamide
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P572-5000 |
| Compound Name: | 2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H19 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(C)cc3)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5712 |
| logD: | 3.5644 |
| logSw: | -3.6142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.795 |
| InChI Key: | VOADFGSTJBWRFT-UHFFFAOYSA-N |