685109-21-1
Product Name:
N-(6,7-DIMETHOXY-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINYL)-2,2,2-TRIFLUOROACETAMIDE
Formula:
C13H13F3N2O4
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >47.7 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 318.25 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 318.08274139 g/mol |
| Monoisotopic Mass | 318.08274139 g/mol |
| Topological Polar Surface Area | 76.7 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 444 |
| 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 |