494861-39-1
Product Name:
ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Formula:
C16H15BrF3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.21 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 417.02997 g/mol |
| Monoisotopic Mass | 417.02997 g/mol |
| Topological Polar Surface Area | 56.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 486 |
| 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 |