2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)acetamide
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P572-5014 |
| Compound Name: | 2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C22 H21 F N6 O3 |
| Smiles: | CC1=CC2=NN(CC(Nc3cc(C)ccc3OC)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9848 |
| logD: | 2.9779 |
| logSw: | -3.2427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.727 |
| InChI Key: | QBSINEFAJCJHFF-UHFFFAOYSA-N |