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Home> Hot Product Listed T   > T6629981
93923-69-4 structure

T6629981

Iupac Name:2'-(benzylamino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CAS No.:93923-69-4
Molecular Weight:532.684
Molecular Formula:C21H27N5O2 (isomer)
Names and Identifiers
Synonyms

5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1-(2-methoxyethyl)pyridin-2-one BG01649356 MCULE-7207706615 MOLPORT-009-072-249 Z731600644

Inchi
InChI=1S/C35H36N2O3/c1-3-5-20-37(21-6-4-2)27-17-18-30-33(23-27)39-32-19-16-26(36-24-25-12-8-7-9-13-25)22-31(32)35(30)29-15-11-10-14-28(29)34(38)40-35/h7-19,22-23,36H,3-6,20-21,24H2,1-2H3
InChkey
SYHCRVWICOGSFH-UHFFFAOYSA-N
Canonical Smiles
CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NCC6=CC=CC=C6
Properties
Refractive Index
1.66
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 93923-69-4 EC: T6629981 ·ECHA C&L Inventory for CAS: CAS: 93923-69-4 EC: T6629981
Computational chemical data
  • Molecular Weight:532.684g/mol
  • Molecular Formula:C21H27N5O2
  • Compound Is Canonicalized:True
  • Exact Mass:532.273
  • Monoisotopic Mass:532.273
  • Complexity:822
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:50.8A^2
  • Heavy Atom Count:40
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB/MAAAAAAAAAAAAAAAAAAAASAAAAA0YMGCAAAAAEiRVAAAHgAQAAAADEzBmAQyzoPABACI AiTSSACCCAAlIgAIiIEObMgMJzLEtZuGOSjn0BnI6Ye62POOiEAAQgAYAAAQgACEADAAAAAAAAAA AA==
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