84518-83-2
Product Name:
Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)m ethyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2R-(2-alpha,3-beta(S*)))-
Formula:
C24H36N3NaO8
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COMPUTED DESCRIPTORS
| Molecular Weight | 515.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 515.22435933 g/mol |
| Monoisotopic Mass | 515.22435933 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 749 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |