680217-03-2
Product Name:
2-((5-(6-CHLORO-3-PYRIDYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE
Formula:
C23H13ClF6N4OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 542.9 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 542.0402789 g/mol |
| Monoisotopic Mass | 542.0402789 g/mol |
| Topological Polar Surface Area | 86 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 759 |
| 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 |