1025259-60-2
Product Name:
2-((4-BROMOPHENYL)SULFONYL)-3-(5-NITRO-2-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENENITRILE
Formula:
C20H12BrN3O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 502.4 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 500.94526 g/mol |
| Monoisotopic Mass | 500.94526 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 791 |
| 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 |