337928-31-1
Product Name:
3-((CYANO-2-[4-(TRIFLUOROMETHOXY)PHENYL]CARBOHYDRAZONOYL)SULFONYL)-5-METHYL-4-ISOTHIAZOLECARBONITRILE
Formula:
C14H8F3N5O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 415.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 5 |
| Exact Mass | 415.00206597 g/mol |
| Monoisotopic Mass | 415.00206597 g/mol |
| Topological Polar Surface Area | 165 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 769 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |