2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide


Chemical Name: 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
CAS Number: 107761-24-0
Product Number: AG007VS6(AGN-PC-0JK76V)
Synonyms:
MDL No: MFCD00236446
Molecular Formula: C19H18N2O3S
Molecular Weight: 354.4228

Identification/Properties


Computed Properties
Molecular Weight:
354.424g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
7
Exact Mass:
354.104g/mol
Monoisotopic Mass:
354.104g/mol
Topological Polar Surface Area:
122A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
522
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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