327075-71-8
Product Name:
ethyl 2-[[(E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Formula:
C25H22N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 446.5 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 446.13002836 g/mol |
| Monoisotopic Mass | 446.13002836 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 730 |
| 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 |