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338413-85-7

338413-85-7 structural image
Product Name: 2-AMINO-6-[5-CHLORO-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE
Formula: C19H16ClN5O2S
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COMPUTED DESCRIPTORS

Molecular Weight 413.9 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 413.0713236 g/mol
Monoisotopic Mass 413.0713236 g/mol
Topological Polar Surface Area 123 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 742
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