477854-56-1
Product Name:
ETHYL 2-PHENYL-4-([3-(TRIFLUOROMETHYL)PHENYL]SULFANYL)-5-PYRIMIDINECARBOXYLATE
Formula:
C20H15F3N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 404.4 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 404.08063339 g/mol |
| Monoisotopic Mass | 404.08063339 g/mol |
| Topological Polar Surface Area | 77.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 514 |
| 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 |