609795-43-9
Product Name:
allyl 2-[3-(4-butoxybenzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Formula:
C29H28N2O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 548.6 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 548.16172241 g/mol |
| Monoisotopic Mass | 548.16172241 g/mol |
| Topological Polar Surface Area | 155 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 940 |
| 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 |