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477872-78-9

477872-78-9 structural image
Product Name: METHYL 3-(2-[2-OXO-2-(4-PHENOXYANILINO)ACETYL]-1H-PYRROL-1-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
Formula: C28H20N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 496.5 g/mol
XLogP3 6.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 496.10929292 g/mol
Monoisotopic Mass 496.10929292 g/mol
Topological Polar Surface Area 115 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 795
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes