488130-68-3
Product Name:
(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:
C21H20N6O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.6 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 452.10891625 g/mol |
| Monoisotopic Mass | 452.10891625 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 965 |
| 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 |