956792-37-3
Product Name:
(Z)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE
Formula:
C16H18N4O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >47.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.34 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 314.13789045 g/mol |
| Monoisotopic Mass | 314.13789045 g/mol |
| Topological Polar Surface Area | 84 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 486 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |