620575-09-9
Product Name:
4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(3-(isopentyloxy)phenyl)-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
Formula:
C34H33N3O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 643.8 g/mol |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 643.18107813 g/mol |
| Monoisotopic Mass | 643.18107813 g/mol |
| Topological Polar Surface Area | 165 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1070 |
| 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 |