2-{[(4-ethylphenyl)methyl]amino}-5-[(2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-[(2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-[(2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0477 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-[(2-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | CCc1ccc(CNc2nc3NC(CNc4ccccc4OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4603 |
| logD: | 3.174 |
| logSw: | -3.6804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | YCJFIOWUSZAROY-UHFFFAOYSA-N |