866137-02-2
Product Name:
2,2,2-TRIFLUORO-N-(5-OXO-5,6,7,8-TETRAHYDRO[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-8-YL)ACETAMIDE
Formula:
C12H9F3N2O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >45.3 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.21 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 302.05144126 g/mol |
| Monoisotopic Mass | 302.05144126 g/mol |
| Topological Polar Surface Area | 76.7 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 456 |
| 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 |