Cas no 918401-72-6 (1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-)

1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]- structure
918401-72-6 structure
Product Name:1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-
CAS No:918401-72-6
MF:C30H36F3N3O6S3
MW:687.813554763794
CID:776973
PubChem ID:71427399
Update Time:2025-04-19

1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-
    • 1,6,11-tris[(4-fluorophenyl)sulfonyl]-1,6,11-triazacyclopentadecane
    • 1,6,11-Tris(4-fluorobenzene-1-sulfonyl)-1,6,11-triazacyclopentadecane
    • 918401-72-6
    • DTXSID70846139
    • Inchi: 1S/C30H36F3N3O6S3/c31-25-7-13-28(14-8-25)43(37,38)34-19-1-2-20-35(44(39,40)29-15-9-26(32)10-16-29)22-5-6-24-36(23-4-3-21-34)45(41,42)30-17-11-27(33)12-18-30/h7-18H,1-6,19-24H2
    • InChI Key: UZVHASLUJCGWNY-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)F)(N1CCCCN(CCCCN(CCCC1)S(C1C=CC(=CC=1)F)(=O)=O)S(C1C=CC(=CC=1)F)(=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 687.17183388g/mol
  • Monoisotopic Mass: 687.17183388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 6
  • Complexity: 1050
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 137?2
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