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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate structure

CAS No:
485372-55-2
Formula:
C20H16BrN3O3S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
Synonyms:
MLS002636629;CHEMBL1879849;HMS3088G03;ZINC6016919;SMR001544593;Z18738204;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 2-[(4-bromo-2-methylphenyl)sulfanyl]acetate;485372-55-2

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Basic Attributes

Molecular Weight：

458.3 g/mol

Exact Mass：

457.00958 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:458.3
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:457.00958
Monoisotopic Mass:457.00958
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:650
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] 2-(4-bromo-2-methylphenyl)sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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