N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-0552 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 471.87 |
| Molecular Formula: | C22 H19 Cl F N5 O4 |
| Smiles: | CC1=CC2=NN(CC(Nc3cc(c(cc3OC)OC)[Cl])=O)C(N2C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.383 |
| logD: | 3.3629 |
| logSw: | -3.8414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.436 |
| InChI Key: | OSORYHOQFDSYCK-UHFFFAOYSA-N |