1486470-49-8
Product Name:
1,2,4-pyrrolidinetricarboxylic acid, 2-(1H-pyrazol-1-ylmethyl)-5-(5-thiazolyl)-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R,4S,5R)-
Formula:
C25H28N4O6S
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COMPUTED DESCRIPTORS
Molecular Weight | 512.6 g/mol |
---|---|
XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 10 |
Exact Mass | 512.17295580 g/mol |
Monoisotopic Mass | 512.17295580 g/mol |
Topological Polar Surface Area | 152 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 817 |
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 |