200801-88-3
Product Name:
2-[2-(METHYLSULFANYL)-4-PYRIMIDINYL]-1-[3-(TRIFLUOROMETHYL)PHENYL]-1-ETHANONE
Formula:
C14H11F3N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.31 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 312.05441864 g/mol |
| Monoisotopic Mass | 312.05441864 g/mol |
| Topological Polar Surface Area | 68.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 365 |
| 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 |