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Home> Hot Product Listed T   > T6508122
910856-25-6 structure

T6508122

Iupac Name:(10R)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one
CAS No.:910856-25-6
Molecular Weight:336.387
Molecular Formula:C15H24N4O3S (isomer)
Names and Identifiers
Synonyms

2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile MCULE-5429981362 MOLPORT-009-147-653 Z196183636 ZINC14787335

Inchi
InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12?,21-/m1/s1
InChkey
WQYKPUPMMFGHQW-BLXYSHDZSA-N
Canonical Smiles
CC1COC2=C1C(=O)C(C3=C2C=CC4=C3C=CC=C4C)(CC(=O)C)O
Computational chemical data
  • Molecular Weight:336.387g/mol
  • Molecular Formula:C15H24N4O3S
  • Compound Is Canonicalized:True
  • Exact Mass:336.136
  • Monoisotopic Mass:336.136
  • Complexity:636
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.6A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:1
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAEjBUAAAGgAACAAADUSgmAIyAMAABgCI AqBSAAICCAAgIAAIiAFACMgIJjaANRiCcAAk4AEIuQfL7PyOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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