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3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure

CAS No:
607697-35-8
Formula:
C25H22Cl2N2S
Chemical Name:
3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Synonyms:
C25H22Cl2N2S;ZINC8741480;STK788705;AKOS002693689;MCULE-7722731019;3-[(3,4-dichlorobenzyl)sulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;607697-35-8

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3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Basic Attributes

Molecular Weight：

453.4 g/mol

Exact Mass：

452.0880753 g/mol

Characteristics

PSA：

62 Å²

Computed Properties

Molecular Weight:453.4
XLogP3:7.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:452.0880753
Monoisotopic Mass:452.0880753
Topological Polar Surface Area:62
Heavy Atom Count:30
Complexity:587
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-phenylethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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