3-(3-Nitrophenyl)-2-propenoic Acid 2-[Methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl Ester


Chemical Name: 3-(3-Nitrophenyl)-2-propenoic Acid 2-[Methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl Ester
CAS Number: 749872-43-3
Product Number: AG00G4SS(AGN-PC-0WAG0E)
Synonyms:
MDL No:
Molecular Formula: C16H18N2O7S
Molecular Weight: 382.3883

Identification/Properties


Computed Properties
Molecular Weight:
382.387g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
382.083g/mol
Monoisotopic Mass:
382.083g/mol
Topological Polar Surface Area:
135A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
678
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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