883960-09-6
Product Name:
8-[2-(trifluoromethyl)phenyl]sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
Formula:
C19H18F3NO4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 413.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 413.09086372 g/mol |
| Monoisotopic Mass | 413.09086372 g/mol |
| Topological Polar Surface Area | 64.2 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 651 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |