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2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile

2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile structure

CAS No:
3340-67-8
Formula:
C17H14N2O3S
Chemical Name:
2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile
Synonyms:
3340-67-8;2-[(4-methoxyphenyl)sulfonyl]-1,2-dihydroisoquinoline-1-carbonitrile;NSC85630;DTXSID40292801;NSC-85630

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2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

326.4 g/mol

Exact Mass：

326.07251349 g/mol

NSC Number：

85630

DSSTox ID：

DTXSID40292801

Characteristics

PSA：

78.8 Å²

Computed Properties

Molecular Weight:326.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:326.07251349
Monoisotopic Mass:326.07251349
Topological Polar Surface Area:78.8
Heavy Atom Count:23
Complexity:593
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-methoxyphenyl)sulfonyl-1H-isoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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