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ZINC00879636,BAS 02052846,5-Bromo-furan-2-carboxylic acid [4-(3,4-dich

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摘 要:ZINC00879636,BAS 02052846,5-Bromo-furan-2-carboxylic acid [4-(3,4-dichloro-phenylsulfamoyl)-phenyl]-amide, 5-bromo-N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]furan-2-carboxamide,Canonical SMILES: C1=CC(=CC=C1NC(=O)C2=CC=C(O2)Br)S(=O)(=O)NC3=CC(=C(C=C
[Synonyms]
ZINC00879636
BAS 02052846
5-Bromo-furan-2-carboxylic acid [4-(3,4-dichloro-phenylsulfamoyl)-phenyl]-amide

[Structure]
ZINC00879636,BAS 02052846,5-Bromo-furan-2-carboxylic acid [4-(3,4-dich

[ Properties Computed from Structure]
Molecular Weight490.15524 [g/mol]
Molecular FormulaC17H11BrCl2N2O4S
XLogP4.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count2
Exact Mass487.899996
MonoIsotopic Mass487.899996
Topological Polar Surface Area88.4
Heavy Atom Count27
Formal Charge0
Complexity625
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: 5-bromo-N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]furan-2-carboxamide
Canonical SMILES: C1=CC(=CC=C1NC(=O)C2=CC=C(O2)Br)S(=O)(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1/C17H11BrCl2N2O4S/c18-16-8-7-15(26-16)17(23)21-10-1-4-12(5-2-10)
27(24,25)22-11-3-6-13(19)14(20)9-11/h1-9,22H,(H,21,23)/f/h21H

 
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