312267-24-6
Product Name:
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-4-(4-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C26H23FN4OS
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COMPUTED DESCRIPTORS
Molecular Weight | 458.6 g/mol |
---|---|
XLogP3 | 5.3 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Exact Mass | 458.15766071 g/mol |
Monoisotopic Mass | 458.15766071 g/mol |
Topological Polar Surface Area | 122 Ų |
Heavy Atom Count | 33 |
Formal Charge | 0 |
Complexity | 979 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |