478248-66-7
Product Name:
(E)-2-(2-Chloro-6-fluorobenzyl)-5-(dimethylamino)-1-(1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl)-4-pentene-1,3-dione
Formula:
C23H19ClF4N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 510.9 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 510.1081808 g/mol |
| Monoisotopic Mass | 510.1081808 g/mol |
| Topological Polar Surface Area | 77.3 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 762 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |