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N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide

N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide structure

CAS No:
728941-50-2
Formula:
C20H20BrN3O3S
Chemical Name:
N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide
Synonyms:
MLS000392397;SMR000261357;MLS002636919;CHEMBL1506728;BDBM54271;cid_2394933;HMS2520K03;ZINC25228033;AKOS034463980;N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide;MCULE-8535998152;Z56892458;3-bromo-N-(4-piperonylpiperazine-1-carbothioyl)benzamide;N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-3-bromobenzamide;N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbothioyl-3-bromanyl-benzamide;N-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}-3-bromobenzamide;728941-50-2

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N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide Basic Attributes

Molecular Weight：

462.4 g/mol

Exact Mass：

461.04088 g/mol

Characteristics

PSA：

86.1 Å²

Computed Properties

Molecular Weight:462.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:461.04088
Monoisotopic Mass:461.04088
Topological Polar Surface Area:86.1
Heavy Atom Count:28
Complexity:573
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide

Basic Attributes
Characteristics
Computed Properties

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