31598-52-4
Product Name:
3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
Formula:
C36H41Cl3N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 700.1 g/mol |
|---|---|
| XLogP3 | 10.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Exact Mass | 698.219339 g/mol |
| Monoisotopic Mass | 698.219339 g/mol |
| Topological Polar Surface Area | 100 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |