467245-70-1
Product Name:
(Z)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile
Formula:
C19H13BrN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.3 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 411.98811 g/mol |
| Monoisotopic Mass | 411.98811 g/mol |
| Topological Polar Surface Area | 94.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 529 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |