777870-80-1
Product Name:
9-(3,5-difluorophenyl)-6-phenyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Formula:
C22H15F5N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.4 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 446.11660193 g/mol |
| Monoisotopic Mass | 446.11660193 g/mol |
| Topological Polar Surface Area | 59.8 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 758 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |