338979-29-6
Product Name:
1-((5-[(4-CHLOROBENZYL)SULFANYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)METHYL)-4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE
Formula:
C26H23Cl2F3N6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 579.5 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 578.1034058 g/mol |
| Monoisotopic Mass | 578.1034058 g/mol |
| Topological Polar Surface Area | 75.4 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 732 |
| 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 |