478078-07-8
Product Name:
5-[(Z)-(6-Chloro-3-pyridinyl)methylidene]-3-ethyl-2-(4H-1,2,4-triazol-4-ylimino)-1,3-thiazolan-4-one
Formula:
C13H11ClN6OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 334.79 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 334.0403579 g/mol |
| Monoisotopic Mass | 334.0403579 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 493 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 2 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |