498546-92-2
Product Name:
3-(4-bromophenyl)-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Formula:
C24H18BrFN2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 529.4 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 527.99771 g/mol |
| Monoisotopic Mass | 527.99771 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 752 |
| 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 |