339030-07-8
Product Name:
5-Benzyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Formula:
C18H11ClF3N3O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.7 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 409.0441034 g/mol |
| Monoisotopic Mass | 409.0441034 g/mol |
| Topological Polar Surface Area | 71.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 681 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |