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1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone structure

CAS No:
349440-41-1
Formula:
C20H21N3O5
Chemical Name:
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
Synonyms:
Oprea1_463202;MLS000768888;CHEMBL1710690;HMS2811B06;STK010847;ZINC19799695;1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;AKOS003284354;MCULE-5148739590;SMR000432185;ST50720047;1-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-(4-nitro-phenyl)-ethanone;1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-(4-nitrophenyl)eth an-1-one;349440-41-1

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1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone Basic Attributes

Molecular Weight：

383.4 g/mol

Exact Mass：

383.14812078 g/mol

Characteristics

PSA：

87.8 Å²

Water Solubility：

46.4 [ug/mL]

Computed Properties

Molecular Weight:383.4
XLogP3:2.3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:383.14812078
Monoisotopic Mass:383.14812078
Topological Polar Surface Area:87.8
Heavy Atom Count:28
Complexity:553
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone

Basic Attributes
Characteristics
Computed Properties

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