722466-42-4
Product Name:
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[4-[(3-methyl-2-thienyl)methylene]-5-oxo-2-thioxo-1-imidazolidinyl]-2-phenyl-
Formula:
C20H18N4O2S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 410.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 410.08711818 g/mol |
| Monoisotopic Mass | 410.08711818 g/mol |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 772 |
| 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 |