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N-(4-Cyano-3-trifluoromethylphenyl)3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide

N-(4-Cyano-3-trifluoromethylphenyl)3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide structure

CAS No:
929029-32-3
Formula:
C18H14BrF3N2O2S
Chemical Name:
N-(4-Cyano-3-trifluoromethylphenyl)3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide
Synonyms:
N-(4-Cyano-3-trifluoromethylphenyl) 3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide;Propanamide,3-[(4-bromophenyl)thio]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-

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N-(4-Cyano-3-trifluoromethylphenyl)3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide Basic Attributes

Molecular Weight：

459.28

Exact Mass：

457.991

Characteristics

PSA：

98.42

XLogP3：

4.89438

Density：

1.60±0.1 g/cm3

Melting Point：

62-64 °C

Boiling Point：

600.9±55.0 °C(Predicted)

PKA：

12.28±0.29

Computed Properties

Molecular Weight:459.3
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:457.99115
Monoisotopic Mass:457.99115
Topological Polar Surface Area:98.4
Heavy Atom Count:27
Complexity:575
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(4-Cyano-3-trifluoromethylphenyl)3-(4-bromophenyl)thio-2-hydroxy-2-methylpropanamide

Basic Attributes
Characteristics
Computed Properties

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