59898-80-5
Product Name:
ethyl 2-((3-benzyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
Formula:
C21H22N2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.5 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 414.10718492 g/mol |
| Monoisotopic Mass | 414.10718492 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 621 |
| 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 |