5-[(3,4-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(3,4-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(3,4-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0540 |
| Compound Name: | 5-[(3,4-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CNc4ccc(C)c(C)c4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9163 |
| logD: | 3.6298 |
| logSw: | -3.8981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.339 |
| InChI Key: | RTNKBTWBLILIJU-UHFFFAOYSA-N |