1002339-14-1
Product Name:
Imidazo[1,5-a]pyrazine-7(1H)-carboxylic acid, hexahydro-3-oxo-2-[3-[(trifluoromethyl)thio]phenyl]-, 1,1-dimethylethyl ester
Formula:
C18H22F3N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 417.13339723 g/mol |
| Monoisotopic Mass | 417.13339723 g/mol |
| Topological Polar Surface Area | 78.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 611 |
| 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 |