797799-52-1
Product Name:
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:
C21H16N4O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.5 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 452.06129735 g/mol |
| Monoisotopic Mass | 452.06129735 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 875 |
| 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 |