344276-97-7
Product Name:
1-[5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]-3-[4-(trifluoromethoxy)anilino]-2-propen-1-one
Formula:
C20H15ClF6N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 508.8 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 508.0736870 g/mol |
| Monoisotopic Mass | 508.0736870 g/mol |
| Topological Polar Surface Area | 84.8 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 756 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |