[2-(4-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
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[2-(4-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
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CAS No:
727692-48-0
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Formula:
C19H18N2O3S
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Chemical Name:
[2-(4-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
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Synonyms:
ZINC3362158;AKOS033654052;MCULE-2930635748;AB00721032-01;Z19002010;[(4-cyanophenyl)carbamoyl]methyl 3-[(4-methylphenyl)sulfanyl]propanoate;727692-48-0
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CAS No:
[2-(4-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Basic Attributes
354.4 g/mol
354.10381361 g/mol
Computed Properties
Molecular Weight:354.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:354.10381361
Monoisotopic Mass:354.10381361
Topological Polar Surface Area:105
Heavy Atom Count:25
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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