338775-03-4
Product Name:
5-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(2,6-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Formula:
C18H10Cl3F3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 493.6 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 491.977058 g/mol |
| Monoisotopic Mass | 491.977058 g/mol |
| Topological Polar Surface Area | 75.1 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 776 |
| 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 |