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ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate

ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate structure

CAS No:
372086-20-9
Formula:
C15H14F3N3O3S
Chemical Name:
ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate
Synonyms:
ZINC5790878;STL326075;AKOS022108170;MCULE-1776238250;ethyl 4-({N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-3-oxobutanoate;372086-20-9

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ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate Basic Attributes

Molecular Weight：

373.4 g/mol

Exact Mass：

373.07079698 g/mol

Characteristics

PSA：

117 Å²

Computed Properties

Molecular Weight:373.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:373.07079698
Monoisotopic Mass:373.07079698
Topological Polar Surface Area:117
Heavy Atom Count:25
Complexity:557
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate

Basic Attributes
Characteristics
Computed Properties
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