799827-26-2
Product Name:
7-((4-bromobenzyl)thio)-4-isobutyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Formula:
C23H22BrN3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 484.5 g/mol |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 483.04385 g/mol |
| Monoisotopic Mass | 483.04385 g/mol |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 556 |
| 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 |