317833-32-2
Product Name:
5-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-2-methyl-3-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione
Formula:
C20H18ClF3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 454.8 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 454.1019526 g/mol |
| Monoisotopic Mass | 454.1019526 g/mol |
| Topological Polar Surface Area | 74.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 691 |
| 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 |