1303996-68-0
Product Name:
5,5'-Bis(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6,6'-dichloro-3-hydroxy-3,3'-biindoline-2,2'-dione
Formula:
C42H40Cl2N8O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 839.9 g/mol |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 838.2041849 g/mol |
| Monoisotopic Mass | 838.2041849 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |