2-{[(4-chlorophenyl)methyl]amino}-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-{[(4-chlorophenyl)methyl]amino}-5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-{[(4-chlorophenyl)methyl]amino}-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: | D412-0055 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-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: | 504.39 |
| Molecular Formula: | C23 H23 Cl F N7 O |
| Salt: | HCl |
| Smiles: | C(c1ccc(cc1)[Cl])Nc1nc2NC(CN3CCN(CC3)c3ccc(cc3)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1748 |
| logD: | 2.8091 |
| logSw: | -3.5723 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.974 |
| InChI Key: | PGNSHVKCNQDDGD-UHFFFAOYSA-N |