N-(2-chloro-4-fluorophenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2-chloro-4-fluorophenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-0077 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 411.82 |
| Molecular Formula: | C20 H15 Cl F N5 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(cc3[Cl])F)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3833 |
| logD: | 3.3476 |
| logSw: | -3.7673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.175 |
| InChI Key: | JWYXYDOXKBFUGN-UHFFFAOYSA-N |