318239-46-2
Product Name:
4-[1-Methyl-5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-2-([3-(trifluoromethyl)phenoxy]methyl)-1,3-thiazol-3-ium bromide
Formula:
C18H13BrCl3F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 564.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 561.88988 g/mol |
| Monoisotopic Mass | 561.88988 g/mol |
| Topological Polar Surface Area | 72.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 594 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |