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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-methylsulfonyl-3-nitrobenzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-methylsulfonyl-3-nitrobenzoate structure

CAS No:
750624-83-0
Formula:
C19H14N4O7S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-methylsulfonyl-3-nitrobenzoate
Synonyms:
ZINC2656639;Z16346053;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-methanesulfonyl-3-nitrobenzoate;750624-83-0

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-methylsulfonyl-3-nitrobenzoate Basic Attributes

Molecular Weight：

442.4 g/mol

Exact Mass：

442.05831997 g/mol

Characteristics

PSA：

187 Å²

Computed Properties

Molecular Weight:442.4
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:442.05831997
Monoisotopic Mass:442.05831997
Topological Polar Surface Area:187
Heavy Atom Count:31
Complexity:898
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] 4-methylsulfonyl-3-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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