573950-78-4
Product Name:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Formula:
C18H15ClF3N5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 441.9 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 441.0637935 g/mol |
| Monoisotopic Mass | 441.0637935 g/mol |
| Topological Polar Surface Area | 98 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 552 |
| 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 |