96514-07-7
Product Name:
4-Chloro-3-[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxovaleryamino]benzoic acid 1-(dodecyloxycarbonyl)pentyl ester
Formula:
C47H61ClN4O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 845.5 g/mol |
|---|---|
| XLogP3 | 13.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 27 |
| Exact Mass | 844.4177926 g/mol |
| Monoisotopic Mass | 844.4177926 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1390 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |