339019-44-2
Product Name:
ETHYL 4-[3,5-BIS(TRIFLUOROMETHYL)ANILINO]-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
Formula:
C16H13F6N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 425.4 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 425.06326681 g/mol |
| Monoisotopic Mass | 425.06326681 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 512 |
| 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 |