N-benzyl-2-[5-(3-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[5-(3-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-benzyl-2-[5-(3-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P032-1332 |
| Compound Name: | N-benzyl-2-[5-(3-fluorophenyl)-7-methyl-3-oxo[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(NCc3ccccc3)=O)C(N2C(c2cccc(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7299 |
| logD: | 2.7121 |
| logSw: | -3.1682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.195 |
| InChI Key: | HMURJMDJMXFGHI-UHFFFAOYSA-N |