Cas no 5807-13-6 ((2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide)

(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide structure
5807-13-6 structure
Product Name:(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CAS No:5807-13-6
MF:C8H4N6O4
MW:248.155159950256
CID:948004
PubChem ID:5354910
Update Time:2025-04-19

(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide Chemical and Physical Properties

Names and Identifiers

    • (2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
    • 1,3,6,8-tetrahydro-2,4,5,7-pyrimido< 5,4-g> pteridinetetrone
    • 1H,8H-Pteridin-2,7-dion
    • 1H,8H-pteridine-2,7-dione
    • 1H,9H-Pyrimido[5,4-g]pteridin-2,4,6,8-tetraon
    • 1H,9H-pyrimido[5,4-g]pteridine-2,4,6,8-tetraone
    • 2,7(1H,8H)-Pteridinedione
    • AC1LC8FM
    • CTK1I1456
    • pyrimido< 5,4-g> pteridinetetrone
    • 1H,2H,3H,4H,6H,7H,8H,9H-PYRIMIDO[5,4-G]PTERIDINE-2,4,6,8-TETRONE
    • DTXSID40973643
    • NSC-22481
    • 1,9-dihydropyrimido[5,4-g]pteridine-2,4,6,8-tetrone
    • 5807-13-6
    • NSC22481
    • Pyrimido[5,4-g]pteridine-2,4,6,8-tetrol
    • Inchi: 1S/C8H4N6O4/c15-5-1-3(11-7(17)13-5)10-4-2(9-1)6(16)14-8(18)12-4/h(H4,10,11,12,13,14,15,16,17,18)
    • InChI Key: SVDLRKRVMBVGHQ-UHFFFAOYSA-N
    • SMILES: O=C1C2C(NC(N1)=O)=NC1=C(C(NC(N1)=O)=O)N=2

Computed Properties

  • Exact Mass: 487.03381
  • Monoisotopic Mass: 248.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 142A^2
  • XLogP3: -1.8

Experimental Properties

  • Density: 1.46
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.621
  • PSA: 71

(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-N-(4-chlorophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide Related Literature

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