2-(3,4-dimethylphenyl)-5-{[4-(4-fluorophenyl)piperazin-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-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-(3,4-dimethylphenyl)-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D489-0161 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C24 H25 F N6 O |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1C)c1nc2NC(CN3CCN(CC3)c3ccc(cc3)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1467 |
| logD: | 3.8529 |
| logSw: | -4.1526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.333 |
| InChI Key: | ISBNTYQJYGXDDR-UHFFFAOYSA-N |