338413-85-7
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 |