99109-07-6
Product Name:
(αS,βS)-β-[(2-AMinophenyl)thio]-α-hydroxy-4-Methoxybenzenepropanoic Acid Methyl Ester
Formula:
C17H19NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 333.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 333.10347926 g/mol |
| Monoisotopic Mass | 333.10347926 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 374 |
| 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 |