87573-52-2
Product Name:
ethyl [3aS-(3aalpha,4beta,6aalpha)]-hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valerate
Formula:
C12H20N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 272.37 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 272.11946368 g/mol |
| Monoisotopic Mass | 272.11946368 g/mol |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 324 |
| 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 |