488717-92-6
Product Name:
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Formula:
C26H23BrN2O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 539.5 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 538.03843 g/mol |
| Monoisotopic Mass | 538.03843 g/mol |
| Topological Polar Surface Area | 103 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 749 |
| 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 |