865658-96-4
Product Name:
DIMETHYL 4-(1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOL-4-YL)-2,3-QUINOLINEDICARBOXYLATE
Formula:
C22H15F3N4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.4 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.10453946 g/mol |
| Monoisotopic Mass | 456.10453946 g/mol |
| Topological Polar Surface Area | 96.2 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 716 |
| 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 |