279691-64-4
Product Name:
4-[4-(TERT-BUTYL)PHENYL]-4-OXO-2-([5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)BUTANOIC ACID
Formula:
C20H20F3NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 411.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 411.11159916 g/mol |
| Monoisotopic Mass | 411.11159916 g/mol |
| Topological Polar Surface Area | 92.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 554 |
| 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 |