879616-04-3
Product Name:
4-[(2-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-4H-pyrazol-3-one
Formula:
C17H17ClN4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 328.8 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 328.1090889 g/mol |
| Monoisotopic Mass | 328.1090889 g/mol |
| Topological Polar Surface Area | 58.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 473 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |