861210-43-7
Product Name:
DIETHYL 1-[4-PHENYL-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]-1H-1,2,3-TRIAZOLE-4,5-DICARBOXYLATE
Formula:
C19H16F3N5O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 435.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 435.11543849 g/mol |
| Monoisotopic Mass | 435.11543849 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 632 |
| 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 |