 Home > Encyclopedia > [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate structure

CAS No:
736947-45-8
Formula:
C20H14N8O5S
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate
Synonyms:
ZINC3298323;Z24743756;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoate;736947-45-8

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Basic Attributes

Molecular Weight：

478.4 g/mol

Exact Mass：

478.08078675 g/mol

Characteristics

PSA：

214 Å²

Computed Properties

Molecular Weight:478.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:478.08078675
Monoisotopic Mass:478.08078675
Topological Polar Surface Area:214
Heavy Atom Count:34
Complexity:860
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-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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