478247-66-4
Product Name:
N-(3,4-DIMETHOXYPHENETHYL)-2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]NICOTINAMIDE
Formula:
C20H21F3N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 426.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 426.12249820 g/mol |
| Monoisotopic Mass | 426.12249820 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 549 |
| 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 |