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Home> Hot Product Listed F   > F5656-0033
41855-35-0 structure

F5656-0033

Iupac Name:1-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)ethanone
CAS No.:41855-35-0
Molecular Weight:354.399
Molecular Formula:C19H18N4O4S (isomer)
Names and Identifiers
Synonyms

2-((5-methoxyisoquinolin-1-yl)thio)-n-(5-methylisoxazol-3-yl)acetamide AKOS024516678 MCULE-6617745432 MOLPORT-009-740-410 sr-01000924207 SR-01000924207-1 ZINC36708190

Inchi
InChI=1S/C18H26O7/c1-15(19)16-2-3-17-18(14-16)25-13-11-23-9-7-21-5-4-20-6-8-22-10-12-24-17/h2-3,14H,4-13H2,1H3
InChkey
GOVDFSVHYMATAJ-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2
Properties
Melting Point
77-78℃
Refractive Index
1.464
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 41855-35-0 EC: F5656-0033 ·ECHA C&L Inventory for CAS: CAS: 41855-35-0 EC: F5656-0033
Computational chemical data
  • Molecular Weight:354.399g/mol
  • Molecular Formula:C19H18N4O4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.1
  • Exact Mass:354.168
  • Monoisotopic Mass:354.168
  • Complexity:363
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:72.4A^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: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyBoAABACI AqBSAAACCAAkIAAIiAEGiMgNJjKENRqCOSKkwBEKqYeKzLDOIAABAAAAQABAAAIAAACAAAAAAAAA AA==
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