2290872-81-8
Product Name:
1-Pyrrolidinecarboxylic acid, 3-hydroxy-4-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]-, 1,1-dimethylethyl ester, (3R,4R)-
Formula:
C12H20N4O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 300.38 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 300.12561169 g/mol |
| Monoisotopic Mass | 300.12561169 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 363 |
| 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 |