6-[(4-chlorophenyl)methyl]-2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-2-[(3,4-dimethylanilino)methyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1580 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-[(3,4-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)c(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8092 |
| logD: | 3.6889 |
| logSw: | -4.781 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.477 |
| InChI Key: | XPGSENNOLDIIBP-UHFFFAOYSA-N |