680216-98-2
Product Name:
2-CHLORO-5-(5-[(4-CHLOROBENZYL)THIO]-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Formula:
C21H13Cl2F3N4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 481.3 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 480.0190075 g/mol |
| Monoisotopic Mass | 480.0190075 g/mol |
| Topological Polar Surface Area | 68.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 579 |
| 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 |