66040-42-4
Product Name:
1-[6,7-DIMETHOXY-1-(4-NITRO-PHENYL)-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]-ETHANONE
Formula:
C19H20N2O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 356.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 356.13722174 g/mol |
| Monoisotopic Mass | 356.13722174 g/mol |
| Topological Polar Surface Area | 84.6 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 515 |
| 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 |