897835-85-7
Product Name:
5-(3-chlorophenyl)-1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1H-pyrrol-2(5H)-one
Formula:
C29H21ClFN3O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 594.1 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 593.0646044 g/mol |
| Monoisotopic Mass | 593.0646044 g/mol |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1010 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |