956611-19-1
Product Name:
(5Z)-2-(2-methylphenyl)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:
C27H18N6O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 506.5 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 506.11610963 g/mol |
| Monoisotopic Mass | 506.11610963 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 884 |
| 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 |