2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | P572-8648 |
| Compound Name: | 2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-phenylacetamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H19 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccccc3)=O)C(N2C(Nc2ccc(C)c(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5768 |
| logD: | 3.5659 |
| logSw: | -3.7618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.795 |
| InChI Key: | KHCAZGSQKRFLTE-UHFFFAOYSA-N |