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Clopimozide ,Clopimozide (USAN),Clopimozide [USAN:INN],Clopimozidum [I

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摘 要:Clopimozide ,Clopimozide (USAN),Clopimozide [USAN:INN],Clopimozidum [INN-Latin],Clopimozida [INN-Spanish],C28H28ClF2N3O,NSC335305,AIDS129186,NSC 335305,AIDS-129186, 3-[1-[4,,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-,one,C
[Synonyms]
Clopimozide
Clopimozide (USAN)
Clopimozide [USAN:INN]
Clopimozidum [INN-Latin]
Clopimozida [INN-Spanish]
C28H28ClF2N3O
NSC335305
AIDS129186
NSC 335305
AIDS-129186

[Structure]
Clopimozide ,Clopimozide (USAN),Clopimozide [USAN:INN],Clopimozidum [I

[ Properties Computed from Structure]
Molecular Weight495.991226 [g/mol]
Molecular FormulaC28H28ClF2N3O
XLogP6.2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count2
Exact Mass495.188897
MonoIsotopic Mass495.188897
Topological Polar Surface Area35.6
Heavy Atom Count35
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-[1-[4,
4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-
one
Canonical SMILES: C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1/C28H28ClF2N3O/c29-21-7-12-27-26(18-21)32-28(35)34(27)24-13-16-33
(17-14-24)15-1-2-25(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,
24-25H,1-2,13-17H2,(H,32,35)/f/h32H

 
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