577770-88-8
Product Name:
(5E)-1-(4-chlorophenyl)-4,6-dioxo-5-[1-(3-piperidin-1-ium-1-ylpropylamino)propylidene]pyrimidin-2-olate
Formula:
C21H27ClN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.9 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 418.1771684 g/mol |
| Monoisotopic Mass | 418.1771684 g/mol |
| Topological Polar Surface Area | 85.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 665 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |