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2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile

2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile structure

CAS No:
328117-93-7
Formula:
C25H17ClN2S
Chemical Name:
2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile
Synonyms:
2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile;Oprea1_489491;Oprea1_657378;2-Benzylsulfanyl-4-(4-chloro-phenyl)-6-phenyl-nicotinonitrile;ZINC2072519;STK791135;AKOS001578370;MCULE-8785365218;AE-848/32950025;SR-01000394822

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2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile Basic Attributes

Molecular Weight：

412.93388

Exact Mass：

412.08

Characteristics

PSA：

XLogP3：

6.8

Density：

1.32±0.1 g/cm3(Predicted)

Melting Point：

194-196 °C(Solv: acetic acid (64-19-7))

Computed Properties

Molecular Weight:412.9
XLogP3:6.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:412.0800974
Monoisotopic Mass:412.0800974
Topological Polar Surface Area:62
Heavy Atom Count:29
Complexity:540
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-phenylnicotinonitrile

Basic Attributes
Characteristics
Computed Properties

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