620577-47-1
Product Name:
1-(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Formula:
C33H30ClN3O7S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 680.2 g/mol |
|---|---|
| XLogP3 | 7.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Exact Mass | 679.1213703 g/mol |
| Monoisotopic Mass | 679.1213703 g/mol |
| Topological Polar Surface Area | 174 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1100 |
| 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 |