436088-41-4
Product Name:
5-TERT-BUTYL-7-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
Formula:
C12H16F3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 291.27 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 291.11946125 g/mol |
| Monoisotopic Mass | 291.11946125 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 394 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |