1486465-52-4
Product Name:
1,2,4-pyrrolidinetricarboxylic acid, 2-(1H-pyrazol-1-ylmethyl)-5-(2-thienyl)-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,4S,5R)-
Formula:
C26H29N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 511.6 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 511.17770683 g/mol |
| Monoisotopic Mass | 511.17770683 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 814 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |