5-[(4-fluoroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-fluoroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0578 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C17 H15 F N6 O S |
| Smiles: | C(C1=CC(n2c(N1)nc(NCc1cccs1)n2)=O)Nc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.6916 |
| logD: | 2.4058 |
| logSw: | -3.1225 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.234 |
| InChI Key: | ULKSQHULTSOMMZ-UHFFFAOYSA-N |