955900-33-1
Product Name:
(5Z)-5-[[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-one
Formula:
C29H32N4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 532.7 g/mol |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 532.19666862 g/mol |
| Monoisotopic Mass | 532.19666862 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 828 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |