2767561-52-2
Product Name:
β-Alanine, N-[4-(4-methyl-1-piperazinyl)butyl]-N-[3-[(2-octyldodecyl)oxy]-3-oxopropyl]-, 2-octyldodecyl ester
Formula:
C55H109N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 876.5 g/mol |
|---|---|
| XLogP3 | 19.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 49 |
| Exact Mass | 875.84180897 g/mol |
| Monoisotopic Mass | 875.84180897 g/mol |
| Topological Polar Surface Area | 62.3 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 897 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |