587014-35-5
Product Name:
(6E)-6-[[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C24H23BrN6O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 539.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 538.07866 g/mol |
| Monoisotopic Mass | 538.07866 g/mol |
| Topological Polar Surface Area | 119 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 975 |
| 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 |