866040-29-1
Product Name:
4-(2-HYDROXYETHYL)-1-[(4-METHOXYPHENYL)SULFONYL]-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C13H16N2O5S
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | 27.9 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.34 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.07799279 g/mol |
| Monoisotopic Mass | 312.07799279 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 529 |
| 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 |