381679-25-0
Product Name:
ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Formula:
C21H22FNO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.5 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 403.12535752 g/mol |
| Monoisotopic Mass | 403.12535752 g/mol |
| Topological Polar Surface Area | 92.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 603 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |