5-[(2,4-dimethoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(2,4-dimethoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(2,4-dimethoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0138 |
| Compound Name: | 5-[(2,4-dimethoxyanilino)methyl]-2-{[(4-methylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1ccc(CNc2nc3NC(CNc4ccc(cc4OC)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9452 |
| logD: | 2.6559 |
| logSw: | -3.3815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.692 |
| InChI Key: | MCGOWXAXIFZYEV-UHFFFAOYSA-N |