1260606-50-5
Product Name:
(3R,4R)-Ethyl 3-(3-bromo-4-fluorophenyl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
Formula:
C21H21BrFNO3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 434.3 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 433.06888 g/mol |
| Monoisotopic Mass | 433.06888 g/mol |
| Topological Polar Surface Area | 46.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 546 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |