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STOCK2S-40953,ZINC01771464, 3-bromo-N'-[4-(4-chlorophenyl)-1,3-thiazol

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摘 要:STOCK2S-40953,ZINC01771464, 3-bromo-N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzohydrazide,Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)Cl,InChI: InChI=1/C16H11BrClN3OS/c17-12-3-1-2-11(8-12)15(22)20-21-16-19-14(9-23-,16)10-4-6-13
[Synonyms]
STOCK2S-40953
ZINC01771464

[Structure]
STOCK2S-40953,ZINC01771464, 3-bromo-N'-[4-(4-chlorophenyl)-1,3-thiazol

[ Properties Computed from Structure]
Molecular Weight408.70004 [g/mol]
Molecular FormulaC16H11BrClN3OS
XLogP5.6
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass406.949473
MonoIsotopic Mass406.949473
Topological Polar Surface Area54
Heavy Atom Count23
Formal Charge0
Complexity409
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-N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzohydrazide
Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)NNC2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI: InChI=1/C16H11BrClN3OS/c17-12-3-1-2-11(8-12)15(22)20-21-16-19-14(9-23-
16)10-4-6-13(18)7-5-10/h1-9H,(H,19,21)(H,20,22)/f/h20-21H

 
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