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Home > Encyclopedia > benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate

benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate

benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate structure

benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate 

structure
  • CAS No:

    1207369-43-4

  • Formula:

    C16H17N3O4

  • Chemical Name:

    benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate

  • Synonyms:

    Benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate;SCHEMBL1839303;CTK4B2006;DTXSID50677827;3618AA;ANW-62046;ZINC49582214;AKOS015855779;DB-061791;FT-0682496

benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate Basic Attributes

315.32388

315.12200

DTXSID50677827

2933990090

Characteristics

87.7

0.73850

1.38±0.1 g/cm3(Predicted)

Safety Information

IRRITANT

Computed Properties

Molecular Weight:315.32
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:315.12190603
Monoisotopic Mass:315.12190603
Topological Polar Surface Area:87.7
Heavy Atom Count:23
Complexity:537
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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