338399-58-9
Product Name:
[5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl][4-(4-methoxyphenyl)piperazino]methanone
Formula:
C22H23ClF3N5O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 497.9 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 497.1441518 g/mol |
| Monoisotopic Mass | 497.1441518 g/mol |
| Topological Polar Surface Area | 79.3 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 727 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |