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

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

CAS No:
380471-38-5
Formula:
C16H14FN3OS
Chemical Name:
2-(4-fluorophenyl)-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
Synonyms:
Oprea1_187717;MLS001011280;CHEMBL1548938;HMS2611J13;ZINC3231210;AKOS034448599;MCULE-1301324484;SMR000353193;SR-01000033052;SR-01000033052-1;Z55923129;2-(4-fluorophenyl)-3-oxo-1-sulfanylidene-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-4-carbonitrile;380471-38-5

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

Molecular Weight：

315.4 g/mol

Exact Mass：

315.08416141 g/mol

Characteristics

PSA：

79.4 Å²

Computed Properties

Molecular Weight:315.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:315.08416141
Monoisotopic Mass:315.08416141
Topological Polar Surface Area:79.4
Heavy Atom Count:22
Complexity:571
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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