840498-79-5
Product Name:
3-((2-chlorobenzyl)thio)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5(6H)-imine
Formula:
C18H16ClN5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 401.9 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 401.0535656 g/mol |
| Monoisotopic Mass | 401.0535656 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 514 |
| 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 |