956765-08-5
Product Name:
Benzoic acid, 2-(methylsulfinyl)-, 2-[1-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester
Formula:
C24H29NO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.6 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 427.18172958 g/mol |
| Monoisotopic Mass | 427.18172958 g/mol |
| Topological Polar Surface Area | 84.6 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 676 |
| 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 |