2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | P032-0755 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 425.85 |
| Molecular Formula: | C21 H17 Cl F N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(C)c(c3)F)=O)C(N2C(c2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2996 |
| logD: | 4.2817 |
| logSw: | -4.5635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | KYYYOQFALOWFLV-UHFFFAOYSA-N |