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1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile structure

CAS No:
380344-28-5
Formula:
C10H11N3O2
Chemical Name:
1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
Synonyms:
1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-4-carbonitrile;380344-28-5;1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile;1,3-dioxo-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile;MLS000055416;CHEMBL1392954;HMS2179B11;ZINC3252099;HTS000383;MFCD02725274;STL135450;AKOS005745892;BS-4157;MCULE-8739755955;SMR000066104;EN300-16911;SR-01000031859;SR-01000031859-1;Z56821833

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1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Basic Attributes

Molecular Weight：

205.21 g/mol

Exact Mass：

205.085126602 g/mol

Characteristics

PSA：

73.2 Å²

Computed Properties

Molecular Weight:205.21
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:205.085126602
Monoisotopic Mass:205.085126602
Topological Polar Surface Area:73.2
Heavy Atom Count:15
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-dioxo-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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