338409-95-3
Product Name:
5-((1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-ISOINDOL-3-YL)METHYLENE)-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Formula:
C21H14ClF3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 462.8 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 462.0706525 g/mol |
| Monoisotopic Mass | 462.0706525 g/mol |
| Topological Polar Surface Area | 82.9 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 864 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |