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Home> Hot Product Listed T   > T6780827
113082-38-5 structure

T6780827

Iupac Name:6-methyl-1H-quinazolin-2-one
CAS No.:113082-38-5
Molecular Weight:160.176
Molecular Formula:C17H18F2N2O4 (isomer)
Names and Identifiers
Synonyms

2-{4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl}-n-(pentan-3-yl)acetamide MCULE-6023144321 MOLPORT-009-107-567 Z873122032 ZINC58201265

Inchi
InChI=1S/C9H8N2O/c1-6-2-3-8-7(4-6)5-10-9(12)11-8/h2-5H,1H3,(H,10,11,12)
InChkey
DYBFIAMWRDJKBZ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1)NC(=O)N=C2
Isomers Smiles
CC1=CC2=C(C=C1)NC(=O)N=C2
Computational chemical data
  • Molecular Weight:160.176g/mol
  • Molecular Formula:C17H18F2N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:160.064
  • Monoisotopic Mass:160.064
  • Complexity:225
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:41.5A^2
  • Heavy Atom Count:12
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQAAAADAjBGAQzwILAAACo AjRjVACCAAAhAgAIiAAgZJiIIKLAkZGEIAhglAJIyCcQgEAOCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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