5-[(2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2-methoxyanilino)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0227 |
| Compound Name: | 5-[(2-methoxyanilino)methyl]-2-{[(4-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: | COc1ccc(CNc2nc3NC(CNc4ccccc4OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5121 |
| logD: | 2.2258 |
| logSw: | -2.8094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.692 |
| InChI Key: | LUADBIFAIQSNOB-UHFFFAOYSA-N |