374612-11-0
Product Name:
ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate
Formula:
C22H17ClN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.9 g/mol |
|---|---|
| XLogP3 | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 440.0597559 g/mol |
| Monoisotopic Mass | 440.0597559 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 713 |
| 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 |