2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0378 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C21 H21 F N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CNc4ccc(cc4)F)=CC(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3315 |
| logD: | 2.0457 |
| logSw: | -3.0582 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.476 |
| InChI Key: | KLGFTFGHLNUQKJ-UHFFFAOYSA-N |