5-[(2,6-dimethylanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,6-dimethylanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,6-dimethylanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0485 |
| Compound Name: | 5-[(2,6-dimethylanilino)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C23 H26 N6 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CNc4c(C)cccc4C)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9061 |
| logD: | 3.6202 |
| logSw: | -3.9408 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.82 |
| InChI Key: | WSYJPYFZHPGVHC-UHFFFAOYSA-N |