468749-06-6
Product Name:
methyl 2-[[(E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Formula:
C22H17FN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 424.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 424.08930636 g/mol |
| Monoisotopic Mass | 424.08930636 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 728 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |