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Home> Encyclopedia > Hot Product Listed Z   > ZINC49403142
1251624-19-7 structure

ZINC49403142

Iupac Name:(2-methoxypyrimidin-5-yl)-[4-(4-methylphenyl)piperazin-1-yl]methanone
CAS No.:1251624-19-7
Molecular Weight:312.373
Molecular Formula:C17H20N4O2 (isomer)
Names and Identifiers
Synonyms

(2-methoxy-5-pyrimidinyl)[4-(4-methylphenyl)piperazino]methanone (2-methoxypyrimidin-5-yl)(4-(p-tolyl)piperazin-1-yl)methanone AKOS021930517 F3406-6771 MCULE-8920519685 MOLPORT-009-715-764

Inchi
InChI=1S/C17H20N4O2/c1-13-3-5-15(6-4-13)20-7-9-21(10-8-20)16(22)14-11-18-17(23-2)19-12-14/h3-6,11-12H,7-10H2,1-2H3
InChkey
FVZDKQRAZHQRLH-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN=C(N=C3)OC
Computational chemical data
  • Molecular Weight:312.373g/mol
  • Molecular Formula:C17H20N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:312.159
  • Monoisotopic Mass:312.159
  • Complexity:382
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:23
  • 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: AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABwAAAHgAAAAAADAjBmgY/0JcIFACo AjV3dACCgCk1AqAJ2CEoZNiIaKrA2dGUJIhohgLIyOcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
 
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