 Home > Encyclopedia > [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate

[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate

[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate structure

CAS No:
749867-89-8
Formula:
C21H18N2O7S
Chemical Name:
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
Synonyms:
ZINC2643061;AKOS000876523;MCULE-2665847405;SR-01000052320;SR-01000052320-1;Z19501946;2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl 5-nitrothiophene-2-carboxylate;749867-89-8

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[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Basic Attributes

Molecular Weight：

442.4 g/mol

Exact Mass：

442.08347209 g/mol

Characteristics

PSA：

141 Å²

Computed Properties

Molecular Weight:442.4
XLogP3:4.3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:442.08347209
Monoisotopic Mass:442.08347209
Topological Polar Surface Area:141
Heavy Atom Count:31
Complexity:702
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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