885274-28-2
Product Name:
4-[CARBOXY-(4-TRIFLUOROMETHYL-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER HYDROCHLORIDE
Formula:
C18H23F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 388.4 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 388.16099171 g/mol |
| Monoisotopic Mass | 388.16099171 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 532 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |