N-(3-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(3-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-4709 |
| Compound Name: | N-(3-fluorophenyl)-2-[7-methyl-5-(2-methylanilino)-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C21 H19 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(c3)F)=O)C(N2C(Nc2ccccc2C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3634 |
| logD: | 3.3632 |
| logSw: | -3.4722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.097 |
| InChI Key: | XQHAMOFIVXMLND-UHFFFAOYSA-N |