5-[(4-fluoroanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(4-fluoroanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0328 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 394.41 |
| Molecular Formula: | C20 H19 F N6 O2 |
| Smiles: | COc1ccccc1CNc1nc2NC(CNc3ccc(cc3)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9379 |
| logD: | 2.6521 |
| logSw: | -3.5573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.846 |
| InChI Key: | AEOXYGQEESCPMY-UHFFFAOYSA-N |