725699-01-4
Product Name:
5-METHYL-7-PENTAFLUOROETHYL-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID ETHYL ESTER
Formula:
C12H14F5N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.25 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 327.10061751 g/mol |
| Monoisotopic Mass | 327.10061751 g/mol |
| Topological Polar Surface Area | 56.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 432 |
| 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 |