[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5a396146c59f464dbfef657a4dd5c2d1.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
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CAS No:
380162-08-3
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Formula:
C18H16ClNO5S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
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Synonyms:
Oprea1_573387;ZINC3216476;AKOS033625955;MCULE-7512650820;NCGC00279538-01;AB00711380-01;AB00711380-02;Z18493563;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-chloro-5-(methylsulfanyl)benzoate;380162-08-3
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Basic Attributes
393.8 g/mol
393.0437715 g/mol
Computed Properties
Molecular Weight:393.8
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:393.0437715
Monoisotopic Mass:393.0437715
Topological Polar Surface Area:99.2
Heavy Atom Count:26
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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