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ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbothioyl}amino)benzoate

ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbothioyl}amino)benzoate structure

CAS No:
333758-53-5
Formula:
C22H25N3O4S
Chemical Name:
ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbothioyl}amino)benzoate
Synonyms:
Oprea1_414766;STK034416;ZINC19814755;AKOS000623902;MCULE-5734480861;ST50723358;BRD-K54097140-001-01-5;ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)benzoate;ethyl 4-({[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]thioxomethyl} amino)benzoate

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ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbothioyl}amino)benzoate Basic Attributes

Molecular Weight：

427.5166

Exact Mass：

427.157

Characteristics

PSA：

95.4

XLogP3：

Computed Properties

Molecular Weight:427.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:427.15657746
Monoisotopic Mass:427.15657746
Topological Polar Surface Area:95.4
Heavy Atom Count:30
Complexity:591
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-({[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbothioyl}amino)benzoate

Basic Attributes
Characteristics
Computed Properties
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