936233-10-2
Product Name:
(R)-4-(Isoquinoline-5-sulfonyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester dihydrochloride
Formula:
C19H27Cl2N3O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 464.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 463.1099329 g/mol |
| Monoisotopic Mass | 463.1099329 g/mol |
| Topological Polar Surface Area | 88.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 640 |
| 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 |