2-[3-(4-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide--hydrogen chloride (1/1)
2-[3-(4-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C066-4625 |
| Compound Name: | 2-[3-(4-chlorophenyl)-4-oxo[1,2]oxazolo[5,4-d]pyrimidin-5(4H)-yl]-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 561.44 |
| Molecular Formula: | C26 H26 Cl F N6 O3 |
| Salt: | HCl |
| Smiles: | C(CNC(CN1C=Nc2c(C1=O)c(c1ccc(cc1)[Cl])no2)=O)CN1CCN(CC1)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.4176 |
| logD: | 1.8315 |
| logSw: | -3.7619 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.258 |
| InChI Key: | NQOKCWFHNNQKFM-UHFFFAOYSA-N |