729568-14-3
Product Name:
(4Z)-4-[(1,3-benzothiazol-2-ylamino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione
Formula:
C25H19N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 425.5 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 425.11979803 g/mol |
| Monoisotopic Mass | 425.11979803 g/mol |
| Topological Polar Surface Area | 94 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 753 |
| 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 |