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5-acetyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile

5-acetyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile structure

CAS No:
733022-59-8
Formula:
C20H19N3O2S
Chemical Name:
5-acetyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile
Synonyms:
ZINC3318335;AKOS000995604;MCULE-2956361565;Z51639277;5-acetyl-6-methyl-2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]sulfanyl}pyridine-3-carbonitrile;733022-59-8

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5-acetyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Basic Attributes

Molecular Weight：

365.5 g/mol

Exact Mass：

365.11979803 g/mol

Characteristics

PSA：

99.4 Å²

Computed Properties

Molecular Weight:365.5
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:365.11979803
Monoisotopic Mass:365.11979803
Topological Polar Surface Area:99.4
Heavy Atom Count:26
Complexity:587
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-acetyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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