2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | P572-8407 |
| Compound Name: | 2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H23 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc(cc3)F)=O)C(N2C(Nc2cc(C)cc(C)c2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4186 |
| logD: | 3.4183 |
| logSw: | -3.598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.117 |
| InChI Key: | YQASFHVRCJBGCB-UHFFFAOYSA-N |