303152-87-6
Product Name:
[3-Ethoxycarbonyl-4,5-bis(hydroxymethyl)-4,5-dihydroisoxazole][1-(2,6-dinitro-4-trifluoromethylphenyl)-4-piperidone]ketal
Formula:
C20H21F3N4O9
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COMPUTED DESCRIPTORS
| Molecular Weight | 518.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 4 |
| Exact Mass | 518.12606275 g/mol |
| Monoisotopic Mass | 518.12606275 g/mol |
| Topological Polar Surface Area | 161 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 874 |
| 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 |