896854-62-9
Product Name:
(3E)-3-[(4-fluorophenyl)methylidene]-4-iminopyrimido[2,1-b][1,3]benzothiazol-2-one
Formula:
C17H10FN3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.3 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 323.05286129 g/mol |
| Monoisotopic Mass | 323.05286129 g/mol |
| Topological Polar Surface Area | 81.8 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 595 |
| 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 |