[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
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[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
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CAS No:
474355-76-5
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Formula:
C22H22N2O3S
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Chemical Name:
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
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Synonyms:
Oprea1_493410;MLS000333971;CHEMBL1602466;HMS2552B18;ZINC2643311;AKOS002486514;MCULE-3106759045;SMR000248729;Z18834639;(cyclohexylcarbamoyl)methyl 2-[(2-cyanophenyl)sulfanyl]benzoate;474355-76-5
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CAS No:
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Basic Attributes
394.5 g/mol
394.13511374 g/mol
Computed Properties
Molecular Weight:394.5
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:394.13511374
Monoisotopic Mass:394.13511374
Topological Polar Surface Area:105
Heavy Atom Count:28
Complexity:582
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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