6-[(4-chlorophenyl)methyl]-2-[(2,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-[(2,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-2-[(2,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1576 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-[(2,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 407.9 |
| Molecular Formula: | C22 H22 Cl N5 O |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(CNc1ccc(C)cc1C)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7297 |
| logD: | 3.6093 |
| logSw: | -4.7325 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.779 |
| InChI Key: | ASKPLBVWSPRMHO-UHFFFAOYSA-N |