55695-83-5
Product Name:
1-(3-SULFO-4-PHENOXY-PHENYL)-3-OCTADECANAMIDO-4-[(4-TOLYSULFONAMIDO)-PHENYLAZO]-5-PYRAZOLINE-5-ONE
Formula:
C46H58N6O8S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 887.1 g/mol |
|---|---|
| XLogP3 | 12.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 26 |
| Exact Mass | 886.37575518 g/mol |
| Monoisotopic Mass | 886.37575518 g/mol |
| Topological Polar Surface Area | 213 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1630 |
| 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 |