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ZINC00881894,BAS 02819559,AG-690/15430276,1-(3-Bromo-4-methoxy-benzoyl

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摘 要:ZINC00881894,BAS 02819559,AG-690/15430276,1-(3-Bromo-4-methoxy-benzoyl)-3-(2-methoxy-phenyl)-thiourea, 3-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC)Br,InChI: InChI=1/C16H15B
[Synonyms]
ZINC00881894
BAS 02819559
AG-690/15430276
1-(3-Bromo-4-methoxy-benzoyl)-3-(2-methoxy-phenyl)-thiourea

[Structure]
ZINC00881894,BAS 02819559,AG-690/15430276,1-(3-Bromo-4-methoxy-benzoyl

[ Properties Computed from Structure]
Molecular Weight395.2709 [g/mol]
Molecular FormulaC16H15BrN2O3S
XLogP3.8
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count5
Exact Mass393.998676
MonoIsotopic Mass393.998676
Topological Polar Surface Area59.6
Heavy Atom Count23
Formal Charge0
Complexity424
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-bromo-4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OC)Br
InChI: InChI=1/C16H15BrN2O3S/c1-21-13-8-7-10(9-11(13)17)15(20)19-16(23)18-12-5-
3-4-6-14(12)22-2/h3-9H,1-2H3,(H2,18,19,20,23)/f/h18-19H

 
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