581773-79-7
Product Name:
Pyrazolo[3,4-b]azepine, 3-(2-benzofuranyl)-1-(3-bromophenyl)-1,4,5,6,7,8-hexahydro- (9CI)
Formula:
C21H18BrN3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 408.3 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 407.06332 g/mol |
| Monoisotopic Mass | 407.06332 g/mol |
| Topological Polar Surface Area | 43 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 492 |
| 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 |