757225-95-9
Product Name:
(6Z)-2-(benzylsulfanyl)-6-(3-ethoxy-4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:
C21H18N4O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 438.08203280 g/mol |
| Monoisotopic Mass | 438.08203280 g/mol |
| Topological Polar Surface Area | 148 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 940 |
| 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 |