343375-54-2
Product Name:
Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarbimidothioate
Formula:
C14H13F3N6O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.35 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Exact Mass | 418.06710858 g/mol |
| Monoisotopic Mass | 418.06710858 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 653 |
| 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 |