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(2S)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine

(2S)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine structure

CAS No:
168037-93-2
Formula:
C27H39NO4S2
Chemical Name:
(2S)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine
Synonyms:
Ro 44-5912;Ro-44-5912;Ro44-5912;Ro 44-5912;168037-93-2;SCHEMBL9260565;DTXSID70168469;ro44-5912;Ro-44-5912;1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N,beta-dimethyl-, (S)-

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(2S)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine Basic Attributes

Molecular Weight：

505.7 g/mol

Exact Mass：

505.23205107 g/mol

DSSTox ID：

DTXSID70168469

Characteristics

PSA：

90.8 Å²

Drug Information

MeSH Entry Terms：

Ro 44-5912

Computed Properties

Molecular Weight:505.7
XLogP3:6.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:505.23205107
Monoisotopic Mass:505.23205107
Topological Polar Surface Area:90.8
Heavy Atom Count:34
Complexity:577
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-3-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylpropan-1-amine

Basic Attributes
Characteristics
Drug Information
Computed Properties

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