5-(4-fluoroanilino)-7-methyl-2-[2-oxo-2-(piperidin-1-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
5-(4-fluoroanilino)-7-methyl-2-[2-oxo-2-(piperidin-1-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
5-(4-fluoroanilino)-7-methyl-2-[2-oxo-2-(piperidin-1-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P572-5080 |
| Compound Name: | 5-(4-fluoroanilino)-7-methyl-2-[2-oxo-2-(piperidin-1-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C19 H21 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(N3CCCCC3)=O)C(N2C(Nc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0975 |
| logD: | 2.0907 |
| logSw: | -2.869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.038 |
| InChI Key: | ZMBFJJCORXFVLZ-UHFFFAOYSA-N |