620557-12-2
Product Name:
(E)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(4-methylphenyl)prop-2-enamide
Formula:
C21H22ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.9 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.1008924 g/mol |
| Monoisotopic Mass | 403.1008924 g/mol |
| Topological Polar Surface Area | 62.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 626 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |