848686-43-1
Product Name:
(6E)-6-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C20H21BrN6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 489.4 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 488.06301 g/mol |
| Monoisotopic Mass | 488.06301 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 848 |
| 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 |