5-[(2,3-dimethylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,3-dimethylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,3-dimethylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0143 |
| Compound Name: | 5-[(2,3-dimethylanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C22 H24 N6 O |
| Smiles: | Cc1ccc(CNc2nc3NC(CNc4cccc(C)c4C)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9806 |
| logD: | 3.6947 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.518 |
| InChI Key: | KAZBXETVJWMTIB-UHFFFAOYSA-N |