536982-06-6
Product Name:
2-((2-fluorobenzyl)thio)-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Formula:
C23H21FN4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 436.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 436.13692526 g/mol |
| Monoisotopic Mass | 436.13692526 g/mol |
| Topological Polar Surface Area | 94.3 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 707 |
| 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 |