488109-35-9
Product Name:
4,7-Dihydro-5,5-dimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)amino]-5H-thieno[2,3-c]pyran-3-carboxylic Acid Ethyl Ester
Formula:
C16H21NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 323.11912932 g/mol |
| Monoisotopic Mass | 323.11912932 g/mol |
| Topological Polar Surface Area | 92.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 477 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |