1022234-53-2
Product Name:
1-((4-(tert-Butyl)phenyl)sulfonyl)-4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))-1,4-diazaperhydroepine
Formula:
C21H25ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 476.0 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 475.1308104 g/mol |
| Monoisotopic Mass | 475.1308104 g/mol |
| Topological Polar Surface Area | 61.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 700 |
| 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 |