2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-methoxyphenyl)acetamide
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-(3-methoxyphenyl)acetamide
2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | P572-8606 |
| Compound Name: | 2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 436.44 |
| Molecular Formula: | C22 H21 F N6 O3 |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(c3)OC)=O)C(N2C(Nc2ccc(C)c(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.835 |
| logD: | 3.8241 |
| logSw: | -4.0647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.338 |
| InChI Key: | ZCBZCWIYRWXRKF-UHFFFAOYSA-N |