5-[(2-methoxyanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-methoxyanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-methoxyanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0327 |
| Compound Name: | 5-[(2-methoxyanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H22 N6 O3 |
| Smiles: | COc1ccccc1CNc1nc2NC(CNc3ccccc3OC)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.751 |
| logD: | 2.4647 |
| logSw: | -3.3246 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.778 |
| InChI Key: | ABQHZKGGUOVYSP-UHFFFAOYSA-N |