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ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate

ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate structure

CAS No:
625376-95-6
Formula:
C20H17F3N2O4S
Chemical Name:
ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate
Synonyms:
625376-95-6;4-(6-Benzo[1,3]dioxol-5-yl-3-cyano-4-trifluoromethyl-pyridin-2-ylsulfanyl)-butyric acid ethyl ester;ethyl 4-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}butanoate;BAS 06901315;SMR000178464;MLS000555307;CHEMBL1465433;HMS2519A20;ZINC8686949;RSC002451;STL005636;AKOS000666202;MCULE-8420061446;SS-0323;ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate;ST50281537;ethyl 4-[6-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-cyano-4-(trifluoromethyl)-2-py ridylthio]butanoate;ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}butanoate

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ethyl 4-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylbutanoate Basic Attributes

Molecular Weight：

438.4 g/mol

Exact Mass：

438.08611269 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:438.4
XLogP3:4.3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:438.08611269
Monoisotopic Mass:438.08611269
Topological Polar Surface Area:107
Heavy Atom Count:30
Complexity:641
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)pyridin-2-yl]sulfanylbutanoate

Basic Attributes
Characteristics
Computed Properties
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