2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)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-(2-methoxyphenyl)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-(2-methoxyphenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0067 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 516.43 |
| Molecular Formula: | C24 H26 Cl N7 O2 |
| Salt: | HCl |
| Smiles: | COc1ccccc1N1CCN(CC1)CC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0249 |
| logD: | 2.6592 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.303 |
| InChI Key: | NJCXNVWQXIUPED-UHFFFAOYSA-N |