830353-69-0
Product Name:
dimethyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)terephthalate
Formula:
C17H22N2O5S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 50.9 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 366.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 366.12494298 g/mol |
| Monoisotopic Mass | 366.12494298 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 501 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |