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STK019312,ZINC00882021,BAS 02820118,AG-690/15430543,1-(5-Bromo-pyridin

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摘 要:STK019312,ZINC00882021,BAS 02820118,AG-690/15430543,1-(5-Bromo-pyridin-2-yl)-3-(4-methoxy-benzoyl)-thiourea, N-[(5-bromopyridin-2-yl)carbamothioyl]-4-methoxybenzamide,Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br,InChI: InChI=1/C14H12B
[Synonyms]
STK019312
ZINC00882021
BAS 02820118
AG-690/15430543
1-(5-Bromo-pyridin-2-yl)-3-(4-methoxy-benzoyl)-thiourea

[Structure]
STK019312,ZINC00882021,BAS 02820118,AG-690/15430543,1-(5-Bromo-pyridin

[ Properties Computed from Structure]
Molecular Weight366.23298 [g/mol]
Molecular FormulaC14H12BrN3O2S
XLogP3.4
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count8
Exact Mass364.98336
MonoIsotopic Mass364.98336
Topological Polar Surface Area63.3
Heavy Atom Count21
Formal Charge0
Complexity375
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-[(5-bromopyridin-2-yl)carbamothioyl]-4-methoxybenzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br
InChI: InChI=1/C14H12BrN3O2S/c1-20-11-5-2-9(3-6-11)13(19)18-14(21)17-12-7-4-10
(15)8-16-12/h2-8H,1H3,(H2,16,17,18,19,21)/f/h17-18H

 
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