2253748-36-4
Product Name:
1H-?Thioxantheno[2,?1,?9-?def]?isoquinoline-?1,?3(2H)?-?dione, 5-?bromo-?2-?(1-?ethylpropyl)?-
Formula:
C23H18BrNO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.4 g/mol |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 451.02416 g/mol |
| Monoisotopic Mass | 451.02416 g/mol |
| Topological Polar Surface Area | 62.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 653 |
| 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 |