N-[(4-fluorophenyl)methyl]-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-[(4-fluorophenyl)methyl]-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | P032-1265 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 391.4 |
| Molecular Formula: | C21 H18 F N5 O2 |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc(cc3)F)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5569 |
| logD: | 2.5236 |
| logSw: | -2.6728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.195 |
| InChI Key: | QRICVYNCXXKLKM-UHFFFAOYSA-N |