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[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate

[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate structure

CAS No:
851127-69-0
Formula:
C21H20N4O6S
Chemical Name:
[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate
Synonyms:
851127-69-0;1-(tert-butyl)-3-methyl-4-((2-nitrophenyl)thio)-1H-pyrazol-5-yl 4-nitrobenzoate;1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 4-nitrobenzoate;Oprea1_028079;ZINC2718612;AKOS001496114;MCULE-2927661052;[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate;F0569-0632;1-tert-butyl-3-methyl-4-[(2-nitrophenyl)thio]-1H-pyrazol-5-yl 4-nitrobenzoate

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[2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate Basic Attributes

Molecular Weight：

456.5 g/mol

Exact Mass：

456.11035554 g/mol

Characteristics

PSA：

161 Å²

Computed Properties

Molecular Weight:456.5
XLogP3:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:456.11035554
Monoisotopic Mass:456.11035554
Topological Polar Surface Area:161
Heavy Atom Count:32
Complexity:698
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-tert-butyl-5-methyl-4-(2-nitrophenyl)sulfanylpyrazol-3-yl] 4-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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