332393-37-0
Product Name:
1-(heptylthio)-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Formula:
C24H28N4OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.6 g/mol |
|---|---|
| XLogP3 | 7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 452.17045388 g/mol |
| Monoisotopic Mass | 452.17045388 g/mol |
| Topological Polar Surface Area | 105 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 616 |
| 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 |