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2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-6-(4-(piperazin-1-yl)phenyl)isoindolin-2-yl)-N-(thiazol-2-yl)acetamide structure
2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-6-(4-(piperazin-1-yl)phenyl)isoindolin-2-yl)-N-(thiazol-2-yl)acetamide structure

2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-6-(4-(piperazin-1-yl)phenyl)isoindolin-2-yl)-N-(thiazol-2-yl)acetamide

Iupac Name:1,2,5-thiadiazepane 1,1-dioxide
CAS No.:410545-38-9
Molecular Weight:150.196
1. Names and Identifiers
1.1 Name
2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-6-(4-(piperazin-1-yl)phenyl)isoindolin-2-yl)-N-(thiazol-2-yl)acetamide
1.2 Synonyms

(Rac)-JBJ-04-125-02 CPD3616 JBJ-04-125-02

1.3 CAS No.
410545-38-9
1.4 CID
22346366
1.5 Molecular Formula
C4H6F4O2 (isomer)
1.6 Inchi
InChI=1S/C4H10N2O2S/c7-9(8)4-3-5-1-2-6-9/h5-6H,1-4H2
1.7 InChkey
XDQLPJWKJFFSFI-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CNS(=O)(=O)CCN1
2. 3D Conformer
3. Computational chemical data
  • Molecular Weight:150.196g/mol
  • Molecular Formula:C4H6F4O2
  • Compound Is Canonicalized:True
  • Exact Mass:150.046
  • Monoisotopic Mass:150.046
  • Complexity:170
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.6A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHAQQQAAAAADFQASAAALAAAIA AAAAAHBAAAAAAAAAAIAIAAAAQAAAAAAQAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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1,2,5-Thiadiazepane 1,1-dioxide/410545-38-9/99% in stock
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  • Time: 2019/02/25
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1,2,5-Thiadiazepane 1,1-dioxide
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1,2,5-Thiadiazepane 1,1-dioxide
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1,2,5-Thiadiazepane 1,1-dioxide
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