2-(4-tert-butylphenyl)-5-{[4-(2-hydroxyethyl)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-tert-butylphenyl)-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
2-(4-tert-butylphenyl)-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-0293 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 446.98 |
| Molecular Formula: | C22 H30 N6 O2 |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2NC(CN3CCN(CC3)CCO)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5309 |
| logD: | 2.1676 |
| logSw: | -2.8011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.519 |
| InChI Key: | KBDITGHLSDVHEY-UHFFFAOYSA-N |