339103-77-4
Product Name:
Methyl 2-((6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl)sulfanyl)benzenecarboxylate
Formula:
C19H14F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 405.4 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 405.07588236 g/mol |
| Monoisotopic Mass | 405.07588236 g/mol |
| Topological Polar Surface Area | 90.3 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 537 |
| 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 |