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3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile structure

CAS No:
380577-28-6
Formula:
C22H19N3O2S
Chemical Name:
3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
Synonyms:
Oprea1_207930;ZINC3235247;AKOS034459351;MCULE-4245404383;Z56835431;3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-4-carbonitrile;380577-28-6

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3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile Basic Attributes

Molecular Weight：

389.5 g/mol

Exact Mass：

389.11979803 g/mol

Characteristics

PSA：

88.7 Å²

Computed Properties

Molecular Weight:389.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:389.11979803
Monoisotopic Mass:389.11979803
Topological Polar Surface Area:88.7
Heavy Atom Count:28
Complexity:696
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-oxo-2-(4-phenoxyphenyl)-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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