929829-16-3
Product Name:
(4E)-4-[(4-bromo-2-chloroanilino)methylidene]-2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-one
Formula:
C15H15BrClN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 432.7 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 430.97060 g/mol |
| Monoisotopic Mass | 430.97060 g/mol |
| Topological Polar Surface Area | 87.2 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 689 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |