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Home> Hot Product Listed T   > T6662656
58433-11-7 structure

T6662656

Iupac Name:2-[1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
CAS No.:58433-11-7
Molecular Weight:342.797
Molecular Formula:C20H21F2N3O (isomer)
Names and Identifiers
Synonyms

4-[2-(methylsulfanyl)-1h-imidazol-1-yl]-n-[3-(morpholin-4-yl)propyl]benzamide MCULE-8718940702 MOLPORT-009-067-646 Z605590400 ZINC42765636

Inchi
InChI=1S/C17H11ClN2O2S/c18-11-7-5-10(6-8-11)16-14(9-15(21)22)23-17-19-12-3-1-2-4-13(12)20(16)17/h1-8H,9H2,(H,21,22)
InChkey
PUYFLGQZLHVTHX-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)N=C3N2C(=C(S3)CC(=O)O)C4=CC=C(C=C4)Cl
Properties
Refractive Index
1.746
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:342.797g/mol
  • Molecular Formula:C20H21F2N3O
  • Compound Is Canonicalized:True
  • Exact Mass:342.023
  • Monoisotopic Mass:342.023
  • Complexity:458
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:82.8A^2
  • Heavy Atom Count:23
  • 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: AAADccB7MABEAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAWAFgB/AAAHgYACAAADAqB3iAx2bcMGgis AyTybACC8K1hH7gJmDUwdpiIaPLhn5GUYAhswAPIyCe8yLCOBAAAAAAAACAIAAAAAAAAQAAAAAAA AA==
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