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ZINC02856984,IVK/1638238, 3-(2,4-dichlorophenyl)-1-[2-(difluoromethoxy

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摘 要:ZINC02856984,IVK/1638238, 3-(2,4-dichlorophenyl)-1-[2-(difluoromethoxy)-5-methylphenyl]thiourea,Canonical SMILES: CC1=CC(=C(C=C1)OC(F)F)NC(=S)NC2=C(C=C(C=C2)Cl)Cl,InChI: InChI=1/C15H12Cl2F2N2OS/c1-8-2-5-13(22-14(18)19)12(6-8)21-15(23)20-11-4-,3-9(16)
[Synonyms]
ZINC02856984
IVK/1638238

[Structure]
ZINC02856984,IVK/1638238, 3-(2,4-dichlorophenyl)-1-[2-(difluoromethoxy

[ Properties Computed from Structure]
Molecular Weight377.236386 [g/mol]
Molecular FormulaC15H12Cl2F2N2OS
XLogP5
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count3
Exact Mass376.001546
MonoIsotopic Mass376.001546
Topological Polar Surface Area33.3
Heavy Atom Count23
Formal Charge0
Complexity406
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-(2,4-dichlorophenyl)-1-[2-(difluoromethoxy)-5-methylphenyl]thiourea
Canonical SMILES: CC1=CC(=C(C=C1)OC(F)F)NC(=S)NC2=C(C=C(C=C2)Cl)Cl
InChI: InChI=1/C15H12Cl2F2N2OS/c1-8-2-5-13(22-14(18)19)12(6-8)21-15(23)20-11-4-
3-9(16)7-10(11)17/h2-7,14H,1H3,(H2,20,21,23)/f/h20-21H

 
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