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Home> Hot Product Listed Z   > ZINC58406911
39038-72-7 structure

ZINC58406911

CAS No.:39038-72-7
Molecular Weight:198.30342
Molecular Formula:C18H28N2O2 (isomer)
Names and Identifiers
Synonyms

3-{[(1-cyclohexyl-4,5-dimethyl-1h-imidazol-2-yl)sulfonyl]methyl}-5-(2-methylpropyl)-1,2,4-oxadiazole MCULE-6185960999 MOLPORT-009-350-042 T6894268 Z827040514

Inchi
InChI=1/C9H11F2N/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-7H,12H2,1H3
Canonical Smiles
CCCCC1=C(C=CC2=CC=CC=C21)C
Properties
Refractive Index
1.478
Computational chemical data
  • Molecular Weight:198.30342g/mol
  • Molecular Formula:C18H28N2O2
  • XLogP3-AA:5.8
  • Exact Mass:198.140851
  • Monoisotopic Mass:198.140851
  • Complexity:185
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:15
  • 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
 
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