536982-44-2
Product Name:
2-((2-fluorobenzyl)thio)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Formula:
C22H19FN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 422.5 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 422.12127520 g/mol |
| Monoisotopic Mass | 422.12127520 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 684 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |