2-{[(4-ethoxyphenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethoxyphenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethoxyphenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0547 |
| Compound Name: | 2-{[(4-ethoxyphenyl)methyl]amino}-5-[(2-methylanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CNc4ccccc4C)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1489 |
| logD: | 2.8631 |
| logSw: | -3.1691 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.641 |
| InChI Key: | VICXLQNXPXZRAC-UHFFFAOYSA-N |