2-(3,4-dimethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-(3,4-dimethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D489-0168 |
Compound Name: | 2-(3,4-dimethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
Molecular Weight: | 450.97 |
Molecular Formula: | C24 H26 N6 O |
Salt: | HCl |
Smiles: | Cc1ccc(cc1C)c1nc2NC(CN3CCN(CC3)c3ccccc3)=CC(n2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.9961 |
logD: | 3.7023 |
logSw: | -4.1385 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.333 |
InChI Key: | YKXNDTAZWGGBFS-UHFFFAOYSA-N |