848995-01-7
Product Name:
(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C24H16ClF2N5OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 495.9 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 495.0732153 g/mol |
| Monoisotopic Mass | 495.0732153 g/mol |
| Topological Polar Surface Area | 99.1 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 958 |
| 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 |