842972-83-2
Product Name:
(6Z)-3-benzylsulfanyl-6-[[4-(diethylamino)phenyl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Formula:
C23H23N5OS2
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COMPUTED DESCRIPTORS
| Molecular Weight | 449.6 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 449.13440272 g/mol |
| Monoisotopic Mass | 449.13440272 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 775 |
| 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 |