517890-77-6
Product Name:
4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-(2-hydroxyethoxy)ethyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
Formula:
C21H23NO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 417.5 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 417.12460863 g/mol |
| Monoisotopic Mass | 417.12460863 g/mol |
| Topological Polar Surface Area | 125 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 616 |
| 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 |