5-(anilinomethyl)-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-(anilinomethyl)-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-(anilinomethyl)-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0523 |
| Compound Name: | 5-(anilinomethyl)-2-{[(4-ethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C21 H22 N6 O2 |
| Smiles: | CCOc1ccc(CNc2nc3NC(CNc4ccccc4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8647 |
| logD: | 2.5788 |
| logSw: | -3.3376 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.339 |
| InChI Key: | JSONOMINNOSBCC-UHFFFAOYSA-N |