211613-56-8
Product Name:
7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile
Formula:
C17H22N2OS
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >45.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 302.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 302.14528450 g/mol |
| Monoisotopic Mass | 302.14528450 g/mol |
| Topological Polar Surface Area | 85 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 587 |
| 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 |