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

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

CAS No:
745026-42-0
Formula:
C17H15F2N3O2S
Chemical Name:
2-[4-(difluoromethoxy)phenyl]-3-oxo-1-sulfanylidene-6,7,8,9-tetrahydro-5H-pyrimido[1,6-a]azepine-4-carbonitrile
Synonyms:
MLS000771776;CHEMBL1488318;HMS2674C24;ZINC2637895;AKOS034448601;MCULE-7354322936;SMR000376456;Z55923146;2-[4-(difluoromethoxy)phenyl]-3-oxo-1-sulfanylidene-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-4-carbonitrile;745026-42-0

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

Molecular Weight：

363.4 g/mol

Exact Mass：

363.08530423 g/mol

Characteristics

PSA：

88.7 Å²

Computed Properties

Molecular Weight:363.4
XLogP3:3.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:363.08530423
Monoisotopic Mass:363.08530423
Topological Polar Surface Area:88.7
Heavy Atom Count:25
Complexity:635
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(difluoromethoxy)phenyl]-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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