1022094-80-9
Product Name:
4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))-1-(METHYLSULFONYL)-1,4-DIAZAPERHYDROEPINE
Formula:
C12H15ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 357.78 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 357.0525601 g/mol |
| Monoisotopic Mass | 357.0525601 g/mol |
| Topological Polar Surface Area | 61.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 483 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |