853724-29-5
Product Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-α-[2-(methylthio)ethyl]-1,3-dioxo-, (7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl ester
Formula:
C24H21NO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 451.5 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 451.10895856 g/mol |
| Monoisotopic Mass | 451.10895856 g/mol |
| Topological Polar Surface Area | 115 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 786 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |