1486465-36-4
Product Name:
1,2,4-pyrrolidinetricarboxylic acid, 2-(2-methylpropyl)-5-(5-thiazolyl)-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S,4S,5R)-
Formula:
C25H32N2O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 488.6 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 488.19810792 g/mol |
| Monoisotopic Mass | 488.19810792 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 748 |
| 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 |