 Home > Encyclopedia > ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate

ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate

ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate structure

CAS No:
625376-79-6
Formula:
C20H15F3N2O5S
Chemical Name:
ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate
Synonyms:
ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate;ethyl 4-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate;SMR000200423;MLS000581821;ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]thio}-3-oxobutanoate;MLS003907081;C20H15F3N2O5S;CHEMBL1348866;HMS2451J10;KS-00003RV5

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ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate Basic Attributes

Molecular Weight：

452.4037096

Exact Mass：

452.065

Characteristics

PSA：

124

XLogP3：

3.9

Computed Properties

Molecular Weight:452.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:452.06537724
Monoisotopic Mass:452.06537724
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:713
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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