844651-28-1
Product Name:
(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C23H16F3N5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 467.5 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 467.10276581 g/mol |
| Monoisotopic Mass | 467.10276581 g/mol |
| Topological Polar Surface Area | 99.1 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 945 |
| 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 |