5-[(2,3-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,3-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,3-dimethylanilino)methyl]-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0543 |
| Compound Name: | 5-[(2,3-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(CNc4cccc(C)c4C)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9262 |
| logD: | 3.6403 |
| logSw: | -3.9317 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.641 |
| InChI Key: | MADFWKTWGIIZMS-UHFFFAOYSA-N |