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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate structure

CAS No:
380573-51-3
Formula:
C19H18BrNO5S
Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
Synonyms:
SMR000260040;MLS000391003;MLS003915426;CHEMBL1384105;HMS2587O16;ZINC3234732;AKOS033639898;MCULE-1747328645;Z18738004;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-[(4-bromo-2-methylphenyl)sulfanyl]acetate;380573-51-3

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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Basic Attributes

Molecular Weight：

452.3 g/mol

Exact Mass：

451.00891 g/mol

Characteristics

PSA：

99.2 Å²

Computed Properties

Molecular Weight:452.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:451.00891
Monoisotopic Mass:451.00891
Topological Polar Surface Area:99.2
Heavy Atom Count:27
Complexity:522
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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