444769-25-9
Product Name:
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(3,5-dimethylanilino)ethylidene]-5-propylpyrazol-3-one
Formula:
C23H24N4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.5 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 404.16708258 g/mol |
| Monoisotopic Mass | 404.16708258 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |