[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
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![[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4311f19ee05947a49d8d3d0ed50b8923.png "[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate")
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
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CAS No:
436135-64-7
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Formula:
C18H16ClNO5S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
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Synonyms:
ZINC3239890;AKOS033665694;MCULE-3093320359;Z19203956;[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 3-[(4-chlorophenyl)sulfanyl]propanoate;436135-64-7
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CAS No:
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate 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:8
Exact Mass:393.0437715
Monoisotopic Mass:393.0437715
Topological Polar Surface Area:99.2
Heavy Atom Count:26
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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