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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(2-chlorophenyl)sulfanylpropanoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(2-chlorophenyl)sulfanylpropanoate structure

CAS No:
454667-00-6
Formula:
C20H16ClN3O3S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(2-chlorophenyl)sulfanylpropanoate
Synonyms:
ZINC3282221;Z19044064;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3-[(2-chlorophenyl)sulfanyl]propanoate;454667-00-6

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(2-chlorophenyl)sulfanylpropanoate Basic Attributes

Molecular Weight：

413.9 g/mol

Exact Mass：

413.0600902 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:413.9
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:413.0600902
Monoisotopic Mass:413.0600902
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:635
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(2-chlorophenyl)sulfanylpropanoate

Basic Attributes
Characteristics
Computed Properties
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