147528-38-9
Product Name:
4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-pipe ridinyl)cyclohexyl ester, hydrochloride, trans-(+-)-
Formula:
C28H32ClNO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 482.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 481.2019862 g/mol |
| Monoisotopic Mass | 481.2019862 g/mol |
| Topological Polar Surface Area | 55.8 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 749 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |