5-[(4-fluoroanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-fluoroanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D489-0138 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C16 H12 F N5 O S |
| Smiles: | C(C1=CC(n2c(N1)nc(c1cccs1)n2)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.0194 |
| logD: | 2.7289 |
| logSw: | -3.4377 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.593 |
| InChI Key: | NUAIXQXQQDICGH-UHFFFAOYSA-N |