339106-80-8
Product Name:
N-(1,3-BENZODIOXOL-5-YL)-2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]NICOTINAMIDE
Formula:
C17H13F3N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 382.4 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 382.05989794 g/mol |
| Monoisotopic Mass | 382.05989794 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 533 |
| 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 |