N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-2617 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-2-(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 425.85 |
| Molecular Formula: | C21 H17 Cl F N5 O2 |
| Smiles: | CC1=NC(=CC2=NN(CC(NCc3ccc(c(c3)[Cl])F)=O)C(N12)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1265 |
| logD: | 3.116 |
| logSw: | -3.5214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.461 |
| InChI Key: | LDTMRCXTOUZQHX-UHFFFAOYSA-N |