321391-93-9
Product Name:
5-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-2,3-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Formula:
C25H20ClF3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.9 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 516.1176027 g/mol |
| Monoisotopic Mass | 516.1176027 g/mol |
| Topological Polar Surface Area | 74.8 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 806 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |