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Home> Encyclopedia > Hot Product Listed 2   > 2H-1,4-Benzoxazin-3(4H)-one,6-[2-(4-methoxyphenyl)-4-thiazolyl]-4-methyl-
135445-96-4 structure

2H-1,4-Benzoxazin-3(4H)-one,6-[2-(4-methoxyphenyl)-4-thiazolyl]-4-methyl-

Iupac Name:8-cyclopentyl-3-phenyl-6-propyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one
CAS No.:135445-96-4
EINECS(EC#): 246-761-4
Molecular Weight:362.437
Molecular Formula:C5H5CLN2O (isomer)
Names and Identifiers
Synonyms

2h-1,4-benzoxazin-3(4h)-one, 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl- 6-(2-(4-methoxyphenyl)-4-thiazolyl)-4-methyl-2h-1,4-benzoxazin-3(4h)-one 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,4-benzoxazin-3-one 6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-2h-1,4-benzoxazin-3-one AC1MJ81Q DTXSID50150766 HE209593 LS-42020

Inchi
InChI=1S/C20H22N6O/c1-2-12-25-18-15(21-16(22-18)13-8-6-7-9-13)19-24-23-17(26(19)20(25)27)14-10-4-3-5-11-14/h3-5,10-11,13,24H,2,6-9,12H2,1H3
InChkey
WYBLSGBKDYEFQY-UHFFFAOYSA-N
Canonical Smiles
CCCN1C2=NC(=NC2=C3NN=C(N3C1=O)C4=CC=CC=C4)C5CCCC5
Properties
Density
1.493
Boiling Point
436.8 °C at 760 mmHg
Vapour
1.65E-10mmHg at 25°C
Refractive Index
1.764
Flash Point
288.7°C
Computational chemical data
  • Molecular Weight:362.437g/mol
  • Molecular Formula:C5H5CLN2O
  • Compound Is Canonicalized:True
  • Exact Mass:362.186
  • Monoisotopic Mass:362.186
  • Complexity:767
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:27
  • 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
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