338399-31-8
Product Name:
2-([5-(([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino)methyl)-4,5-dihydro-3-isoxazolyl]carbonyl)-N-(4-nitrophenyl)-1-hydrazinecarbothioamide
Formula:
C18H15ClF3N7O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.9 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 517.0546853 g/mol |
| Monoisotopic Mass | 517.0546853 g/mol |
| Topological Polar Surface Area | 178 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 793 |
| 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 |