351338-28-8
Product Name:
3-benzyl-7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Formula:
C22H26N2OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 398.6 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 398.14865580 g/mol |
| Monoisotopic Mass | 398.14865580 g/mol |
| Topological Polar Surface Area | 86.2 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 594 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |