400828-71-9
Product Name:
2-(4-(benzoylcarbamothioyl)piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Formula:
C22H22N6O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 466.5 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 466.14232438 g/mol |
| Monoisotopic Mass | 466.14232438 g/mol |
| Topological Polar Surface Area | 151 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 822 |
| 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 |