84518-86-5
Product Name:
Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-(2-pyrimidinyl)-1-piperazi nyl)carbonyl)butyl)amino)carbonyl)-, monosodium salt, (2S-(2-alpha,3-b eta(R*)))-
Formula:
C18H26N5NaO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 413.16751317 g/mol |
| Monoisotopic Mass | 413.16751317 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 593 |
| 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 |