2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-[(4-methoxyanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0492 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-[(4-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(CNc4ccc(cc4)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6005 |
| logD: | 3.314 |
| logSw: | -3.6376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.759 |
| InChI Key: | XAVDRXXHWFPEGU-UHFFFAOYSA-N |