503045-77-0
Product Name:
1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]sulfonyl]-, 1-(1,1-dimethylethyl) ester (9CI)
Formula:
C22H32BN3O8S
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COMPUTED DESCRIPTORS
| Molecular Weight | 509.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 509.2003163 g/mol |
| Monoisotopic Mass | 509.2003163 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 888 |
| 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 |