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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate structure

CAS No:
380203-61-2
Formula:
C20H14F6N2O3
Chemical Name:
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
Synonyms:
ZINC3224799;AKOS033631897;MCULE-5453932647;Z18565842;[(2-cyanoethyl)(phenyl)carbamoyl]methyl 3,5-bis(trifluoromethyl)benzoate;380203-61-2

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[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Basic Attributes

Molecular Weight：

444.3 g/mol

Exact Mass：

444.09086129 g/mol

Characteristics

PSA：

70.4 Å²

Computed Properties

Molecular Weight:444.3
XLogP3:4.3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:444.09086129
Monoisotopic Mass:444.09086129
Topological Polar Surface Area:70.4
Heavy Atom Count:31
Complexity:657
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate

Basic Attributes
Characteristics
Computed Properties
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