2-[(2,6-dimethylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(2,6-dimethylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(2,6-dimethylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1525 |
| Compound Name: | 2-[(2,6-dimethylanilino)methyl]-5-methyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C23 H25 N5 O |
| Smiles: | CC1=C(Cc2ccc(C)cc2)C(n2c(N1)nc(CNc1c(C)cccc1C)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.066 |
| logD: | 2.9456 |
| logSw: | -4.0916 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.081 |
| InChI Key: | ZKRQCMFJEWOJOP-UHFFFAOYSA-N |