489403-72-7
Product Name:
ethyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Formula:
C26H22ClN3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 540.0 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 539.0917843 g/mol |
| Monoisotopic Mass | 539.0917843 g/mol |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 964 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |