339106-06-8
Product Name:
(4-FLUOROPHENYL)[1-[NITRO(PHENYLSULFONYL)METHYL]-3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]METHANONE
Formula:
C23H19FN2O5S
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 454.09987105 g/mol |
| Monoisotopic Mass | 454.09987105 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 781 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |