860786-77-2
Product Name:
5-(BENZYLSULFONYL)-7-(TRIFLUOROMETHYL)-1,2,3,3A,4,5-HEXAHYDROPYRROLO[1,2-A]QUINOXALINE
Formula:
C19H19F3N2O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 396.4 g/mol |
---|---|
XLogP3 | 3.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 3 |
Exact Mass | 396.11193351 g/mol |
Monoisotopic Mass | 396.11193351 g/mol |
Topological Polar Surface Area | 49 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 628 |
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 |