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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1,3-benzothiazol-2-yl)butanoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1,3-benzothiazol-2-yl)butanoate structure

CAS No:
565220-33-9
Formula:
C22H18N4O3S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1,3-benzothiazol-2-yl)butanoate
Synonyms:
ZINC2657677;Z20277583;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-(1,3-benzothiazol-2-yl)butanoate;565220-33-9

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1,3-benzothiazol-2-yl)butanoate Basic Attributes

Molecular Weight：

418.5 g/mol

Exact Mass：

418.10996162 g/mol

Characteristics

PSA：

140 Å²

Computed Properties

Molecular Weight:418.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:418.10996162
Monoisotopic Mass:418.10996162
Topological Polar Surface Area:140
Heavy Atom Count:30
Complexity:706
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-(1,3-benzothiazol-2-yl)butanoate

Basic Attributes
Characteristics
Computed Properties
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