63554-28-9
Product Name:
1H-Pyrazole, 1-benzoyl-3-[5-(benzoyloxy)-2-phenyl-1,3-dioxan-4-yl]-, [2R-(2α,4α,5β)]- (9CI)
Formula:
C27H22N2O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 454.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 454.15287181 g/mol |
| Monoisotopic Mass | 454.15287181 g/mol |
| Topological Polar Surface Area | 79.6 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 685 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |