2H-1,4-Benzoxazin-3-amine, N-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride
Basic information
- CAS
85868-63-9- Standard SMILES
Cl.Cl.Cl.Cl.c1ccc(N2CCN(CCCOc3ccc(NC4=Nc5ccccc5OC4)cc3)CC2)cc1- InChIKey
PNMOTZXKMBHGMY-UHFFFAOYSA-N- Molecular formula
- C27H34Cl4N4O2
- Average molar mass
- 588.4 g/mol
- Monoisotopic mass
- 586.143587
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3-amine, N-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride
- IUPAC
- N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2H-1,4-benzoxazin-3-amine;tetrahydrochloride
Names & synonyms
2H-1,4-Benzoxazin-3-amine, N-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride85868-63-9DTXSID90235167N-(3-(3-(4-Phenyl-1-piperazinyl)propoxy)phenyl)-2H-1,4-benzoxazin-3-amine 4HClRefChem:268001DTXCID90157658N-{4-[3-(4-Phenylpiperazin-1-yl)propoxy]phenyl}-2H-1,4-benzoxazin-3-amine--hydrogen chloride (1/4)
Database identifiers
- CAS
85868-63-9- PubChem CID
- 55425
- DTXSID
DTXSID90235167
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 607
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Compound notes
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