339019-43-1
Product Name:
ETHYL 2-(METHYLSULFANYL)-4-[4-(TRIFLUOROMETHYL)ANILINO]-5-PYRIMIDINECARBOXYLATE
Formula:
C15H14F3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 357.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 357.07588236 g/mol |
| Monoisotopic Mass | 357.07588236 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 417 |
| 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 |