313512-98-0
Product Name:
1-Piperidinecarboxylic acid, 4-[1-ethyl-5-(phenylmethyl)-1H-pyrazol-3-yl]-, 1,1-dimethylethyl ester
Formula:
C22H31N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 369.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 369.24162724 g/mol |
| Monoisotopic Mass | 369.24162724 g/mol |
| Topological Polar Surface Area | 47.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 476 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |