339019-46-4
Product Name:
ETHYL 4-[2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO]-2-(METHYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
Formula:
C15H13ClF3N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 391.8 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 391.0369100 g/mol |
| Monoisotopic Mass | 391.0369100 g/mol |
| Topological Polar Surface Area | 89.4 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 458 |
| 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 |