2125725-84-8
Product Name:
3-Piperidinecarboxylic acid, 1-[3,4-dihydroxy-4,4-bis(3-methyl-2-thienyl)butyl]-, (3R)-
Formula:
C20H27NO4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 409.6 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 409.13815069 g/mol |
| Monoisotopic Mass | 409.13815069 g/mol |
| Topological Polar Surface Area | 138 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |