115623-21-7
Product Name:
[3S-[2(R*),3α,8aβ]]-Hexahydro-3-Methyl-1,4-dioxo-α-(2-phenylethyl)pyrrolo[1,2-a]pyrazine-2(1H)-acetic Acid
Formula:
C18H22N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 330.4 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 330.15795719 g/mol |
| Monoisotopic Mass | 330.15795719 g/mol |
| Topological Polar Surface Area | 77.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 515 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |