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861209-21-4

861209-21-4 structural image
Product Name: METHYL 1-AMINO-5-PHENYL-7,8-DIHYDRO-6H-CYCLOPENTA[D]THIENO[2,3-B]PYRIDINE-2-CARBOXYLATE
Formula: C18H16N2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 324.4 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 324.09324893 g/mol
Monoisotopic Mass 324.09324893 g/mol
Topological Polar Surface Area 93.4 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 454
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