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STK014797,ZINC00881472,BAS 02818589,AG-690/15429885,N-(3,4-dimethoxybe

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摘 要:STK014797,ZINC00881472,BAS 02818589,AG-690/15429885,N-(3,4-dimethoxybenzoyl)-N'-{4-fluoro-3-nitrophenyl}thiourea,1-(3,4-Dimethoxy-benzoyl)-3-(4-fluoro-3-nitro-phenyl)-thiourea, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide,Cano
[Synonyms]
STK014797
ZINC00881472
BAS 02818589
AG-690/15429885
N-(3,4-dimethoxybenzoyl)-N'-{4-fluoro-3-nitrophenyl}thiourea
1-(3,4-Dimethoxy-benzoyl)-3-(4-fluoro-3-nitro-phenyl)-thiourea

[Structure]
STK014797,ZINC00881472,BAS 02818589,AG-690/15429885,N-(3,4-dimethoxybe

[ Properties Computed from Structure]
Molecular Weight379.362863 [g/mol]
Molecular FormulaC16H14FN3O5S
XLogP2.8
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count4
Tautomer Count5
Exact Mass379.063819
MonoIsotopic Mass379.063819
Topological Polar Surface Area103
Heavy Atom Count26
Formal Charge0
Complexity533
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: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC
InChI: InChI=1/C16H14FN3O5S/c1-24-13-6-3-9(7-14(13)25-2)15(21)19-16(26)18-10-4-
5-11(17)12(8-10)20(22)23/h3-8H,1-2H3,(H2,18,19,21,26)/f/h18-19H

 
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