5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D412-0555 |
| Compound Name: | 5-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C21 H22 F N7 O S |
| Salt: | HCl |
| Smiles: | C(c1cccs1)Nc1nc2NC(CN3CCN(CC3)c3ccc(cc3)F)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5551 |
| logD: | 2.1894 |
| logSw: | -2.8974 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.992 |
| InChI Key: | ZABCJONNDRLLDT-UHFFFAOYSA-N |