1000023-05-1
Product Name:
4H-1-Benzopyran-4-one, 2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]-, hydrochloride (1:1)
Formula:
C22H20Cl2F3NO5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 506.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 505.0670626 g/mol |
| Monoisotopic Mass | 505.0670626 g/mol |
| Topological Polar Surface Area | 90.2 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 750 |
| 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 |