369393-24-8
Product Name:
(5E)-2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:
C21H20ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.9 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 413.0964758 g/mol |
| Monoisotopic Mass | 413.0964758 g/mol |
| Topological Polar Surface Area | 81.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 648 |
| 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 |