2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methyl-N-phenylacetamide
2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | P572-5068 |
| Compound Name: | 2-[5-(4-fluoroanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H19 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N(C)c3ccccc3)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3444 |
| logD: | 2.3375 |
| logSw: | -2.8381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.758 |
| InChI Key: | LZUOXLHTGYFZLO-UHFFFAOYSA-N |