85723-21-3
Product Name:
but-2-enedioic acid: N-[4-(2-fluorobenzoyl)-2,5-dimethyl-pyrazol-3-yl] -2-[3-(2-methyl-1-piperidyl)propylamino]acetamide
Formula:
C31H40FN5O10
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COMPUTED DESCRIPTORS
| Molecular Weight | 545.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 545.26496205 g/mol |
| Monoisotopic Mass | 545.26496205 g/mol |
| Topological Polar Surface Area | 154 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 726 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |