RefChem:228860
1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
Also Known As: KST-1B4999|1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-(2-nitrophenoxy)ethyl)-1-piperazinyl)-, dihydrochloride|1-(4-fluorophenyl)-4-{4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl}butan-1-one dihydrochloride|N(sup 1)-(3-(4'-Fluorobenzoyl)propyl)-N(sup 2)-(2-(2'-nitrophenoxy)ethyl)piperazine 2HCl|1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one dihydrochloride|1-(4-Fluorophenyl)-4-{4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C22H28Cl2FN3O4 |
|---|---|
| Molecular Weight | 487.1441 g/mol |
| LogP | 4.237 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1441 |
| Monoisotopic Mass | 487.1441 |
| Heavy Atoms | 32 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 535-66-0 |
|---|---|
| SMILES | C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC=C3[N+](=O)[O-].Cl.Cl |
| InChIKey | GNAWPRCWVXMWSK-UHFFFAOYSA-N |
Product Overview
RefChem:228860 (CAS 535-66-0), with molecular formula C22H28Cl2FN3O4 and molecular weight 487.1441 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride.
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