477709-54-9
Product Name:
6-[1-(3-CHLOROPHENYL)-1H-PYRAZOL-5-YL]-4-METHYL-2-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE
Formula:
C20H13ClF3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.8 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 447.0709869 g/mol |
| Monoisotopic Mass | 447.0709869 g/mol |
| Topological Polar Surface Area | 70.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 749 |
| 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 |