1823822-54-3
Product Name:
Tert-Butyl 3-Bromo-8,9-Dihydro-5H-Imidazo[1,5-D][1,4]Diazepine-7(6H)-Carboxylate(WX141716)
Formula:
C12H18BrN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 316.19 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.05824 g/mol |
| Monoisotopic Mass | 315.05824 g/mol |
| Topological Polar Surface Area | 47.4 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 319 |
| 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 |