343373-37-5
Product Name:
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:
C15H7ClF6N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.68 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 408.0212575 g/mol |
| Monoisotopic Mass | 408.0212575 g/mol |
| Topological Polar Surface Area | 48.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 598 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |