320420-10-8
Product Name:
2-[5-CYANO-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]ETHYL 3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE
Formula:
C15H10F3N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 353.25 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 353.06234029 g/mol |
| Monoisotopic Mass | 353.06234029 g/mol |
| Topological Polar Surface Area | 99.5 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 650 |
| 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 |