797016-67-2
Product Name:
(5Z)-2-(4-bromophenyl)-5-[(2-pentoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:
C22H20BrN3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 470.4 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 469.04596 g/mol |
| Monoisotopic Mass | 469.04596 g/mol |
| Topological Polar Surface Area | 82.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 597 |
| 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 |