5-[(2,4-dimethylanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethylanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethylanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0336 |
| Compound Name: | 5-[(2,4-dimethylanilino)methyl]-2-{[(2-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | Cc1ccc(c(C)c1)NCC1=CC(n2c(N1)nc(NCc1ccccc1OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6891 |
| logD: | 3.4026 |
| logSw: | -3.9016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.148 |
| InChI Key: | YSSNXRCHUUPQHU-UHFFFAOYSA-N |