benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
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benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
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CAS No:
1207369-43-4
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Formula:
C16H17N3O4
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Chemical Name:
benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
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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
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CAS No:
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
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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benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
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