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477872-76-7

477872-76-7 structural image
Product Name: METHYL 3-(2-[2-OXO-2-(4-TOLUIDINO)ACETYL]-1H-PYRROL-1-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
Formula: C23H18N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 418.5 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 418.09872823 g/mol
Monoisotopic Mass 418.09872823 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 664
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