421577-85-7
Product Name:
2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide
Formula:
C21H20ClN3O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.0 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 445.0685469 g/mol |
| Monoisotopic Mass | 445.0685469 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 689 |
| 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 |