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ZINC01022653 N'-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)buta

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摘 要:ZINC01022653 N'-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanehydrazide,Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NNC3=NC4=CC=CC=C4S3,InChI: InChI=1/C19H16N4O3S/c24-16(21-22-19-20-14-8-3-4-9-15(14)27-19)10-5-11-,23-17(25)12-6-1-2-
[Synonyms]
ZINC01022653
[Structure]
ZINC01022653 N'-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)buta

[ Properties Computed from Structure]
Molecular Weight380.42034 [g/mol]
Molecular FormulaC19H16N4O3S
XLogP2.7
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count4
Exact Mass380.094311
MonoIsotopic Mass380.094311
Topological Polar Surface Area91.4
Heavy Atom Count27
Formal Charge0
Complexity578
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'-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanehydrazide
Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NNC3=NC4=CC=CC=C4S3
InChI: InChI=1/C19H16N4O3S/c24-16(21-22-19-20-14-8-3-4-9-15(14)27-19)10-5-11-
23-17(25)12-6-1-2-7-13(12)18(23)26/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,
24)/f/h21-22H

 
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