338979-17-2
Product Name:
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-((5-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)piperazine
Formula:
C26H22Cl3F3N6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 613.9 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 612.064433 g/mol |
| Monoisotopic Mass | 612.064433 g/mol |
| Topological Polar Surface Area | 75.4 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 774 |
| 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 |