401566-80-1
Product Name:
(2S,4S)-4-[4-(3-Methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl]-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
Formula:
C27H38N6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 526.7 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 526.27261027 g/mol |
| Monoisotopic Mass | 526.27261027 g/mol |
| Topological Polar Surface Area | 99.4 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 811 |
| 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 |