25985-53-9
Product Name:
5-[4,5-DIHYDRO-5-OXO-3-[(1-OXOOCTADECYL)AMINO]-1H-PYRAZOL-1-YL]-2-PHENOXY-BENZENESULFONIC ACID
Formula:
C33H47N3O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 613.8 g/mol |
|---|---|
| XLogP3 | 9.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 21 |
| Exact Mass | 613.31855740 g/mol |
| Monoisotopic Mass | 613.31855740 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 960 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |