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ethyl 4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzoate

ethyl 4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzoate structure

CAS No:
565215-58-9
Formula:
C21H24N2O7S
Chemical Name:
ethyl 4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzoate
Synonyms:
MLS002162979;CHEMBL1396135;HMS3053B09;ZINC25266552;AKOS034339373;MCULE-8676460822;SMR001245373;Z44162501;ethyl 4-({4-[(6-hydroxy-2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}sulfonyl)benzoate;565215-58-9

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ethyl 4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzoate Basic Attributes

Molecular Weight：

448.5 g/mol

Exact Mass：

448.13042228 g/mol

Characteristics

PSA：

114 Å²

Computed Properties

Molecular Weight:448.5
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:448.13042228
Monoisotopic Mass:448.13042228
Topological Polar Surface Area:114
Heavy Atom Count:31
Complexity:712
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylbenzoate

Basic Attributes
Characteristics
Computed Properties
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