1448443-35-3
Product Name:
(3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Formula:
C28H36N4O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 492.7 g/mol |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 492.25589758 g/mol |
| Monoisotopic Mass | 492.25589758 g/mol |
| Topological Polar Surface Area | 85 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 804 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |