936233-01-1
Product Name:
(S)-5-(3-Isobutyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride
Formula:
C17H24ClN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 405.1044536 g/mol |
| Monoisotopic Mass | 405.1044536 g/mol |
| Topological Polar Surface Area | 70.7 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 489 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |