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N'-[(4-fluorophenyl)methylideneamino]-N-[4-[[N-[(4-fluorophenyl),meth

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摘 要: N'-[(4-fluorophenyl)methylideneamino]-N-[4-[[N-[(4-fluorophenyl),methylideneamino]-C-sulfanylcarbonimidoyl]amino]piperazin-1-yl]-1-,sulfanylmethanimidamide,Canonical SMILES: C1CN(CCN1NC(=NN=CC2=CC=C(C=C2)F)S)NC(=NN=CC3=CC=C(C=C3)F)S,InChI: InChI=1/C
[Synonyms]

[Structure]
 N'-[(4-fluorophenyl)methylideneamino]-N-[4-[[N-[(4-fluorophenyl),meth

[ Properties Computed from Structure]
Molecular Weight476.569086 [g/mol]
Molecular FormulaC20H22F2N8S2
XLogP6
H-Bond Donor2
H-Bond Acceptor10
Rotatable Bond Count8
Tautomer Count6
Exact Mass476.137691
MonoIsotopic Mass476.137691
Topological Polar Surface Area80
Heavy Atom Count32
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count4
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N'-[(4-fluorophenyl)methylideneamino]-N-[4-[[N-[(4-fluorophenyl)
methylideneamino]-C-sulfanylcarbonimidoyl]amino]piperazin-1-yl]-1-
sulfanylmethanimidamide
Canonical SMILES: C1CN(CCN1NC(=NN=CC2=CC=C(C=C2)F)S)NC(=NN=CC3=CC=C(C=C3)F)S
InChI: InChI=1/C20H22F2N8S2/c21-17-5-1-15(2-6-17)13-23-25-19(31)27-29-9-11-30
(12-10-29)28-20(32)26-24-14-16-3-7-18(22)8-4-16/h1-8,13-14H,9-12H2,(H2,
25,27,31)(H2,26,28,32)/f/h27-28,31-32H

 
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