2291035-52-2
Product Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-[(4-methoxyphenyl)thio]-, 1,1-dimethylethyl ester, (3R,4R)-
Formula:
C16H23NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 325.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 325.13477939 g/mol |
| Monoisotopic Mass | 325.13477939 g/mol |
| Topological Polar Surface Area | 84.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 377 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |