530128-55-3
Product Name:
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(5-iodopyridin-2-yl)carbamothioyl]prop-2-enamide
Formula:
C16H13BrIN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 518.2 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 516.89566 g/mol |
| Monoisotopic Mass | 516.89566 g/mol |
| Topological Polar Surface Area | 95.3 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 480 |
| 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 |