Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed D   > Decanoic acid, cobalt salt
1235219-32-5 structure

Decanoic acid, cobalt salt

Iupac Name:N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1235219-32-5
Molecular Weight:352.456
Molecular Formula:C49H60F2N4O14 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C19H20N4OS/c24-18(19-22-15-5-1-2-6-16(15)25-19)21-13-14-8-11-23(12-9-14)17-7-3-4-10-20-17/h1-7,10,14H,8-9,11-13H2,(H,21,24)
InChkey
BHOAJUSCNWLQHE-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1CNC(=O)C2=NC3=CC=CC=C3S2)C4=CC=CC=N4
Properties
Density
1.5
Boiling Point
338.4 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:352.456g/mol
  • Molecular Formula:C49H60F2N4O14
  • Compound Is Canonicalized:True
  • Exact Mass:352.136
  • Monoisotopic Mass:352.136
  • Complexity:455
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:86.4A^2
  • Heavy Atom Count:25
  • 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: AAADceB7oABAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgQQAAAADQjB1gQ98bPIEAis ATd3dACD8KlzCjhJ2Ly4ZJiIYOLgmbGUIAholgLoyCcQAAAKAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
 
<