1380424-42-9
Product Name:
KML-29
Formula:
C24H21F6NO7
Synonyms:
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(dibenzo[d][1,3]dioxol-5-yl(hydroxy)methyl)piperidine-1-carboxylate;4-[bis(1,3-Benzodioxol-5-yl)hydroxymethyl]-1-piperidinecarboxylic acid 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester;KML 29;KML-29
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COMPUTED DESCRIPTORS
| Molecular Weight | 549.4 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 5 |
| Exact Mass | 549.12222098 g/mol |
| Monoisotopic Mass | 549.12222098 g/mol |
| Topological Polar Surface Area | 86.7 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 803 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |