874882-72-1
Product Name:
4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1H-indole-2-carbonitrile hemifumarate salt
Formula:
C20H25N3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 658.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 658.34788321 g/mol |
| Monoisotopic Mass | 658.34788321 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 487 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |