31994-53-3
Product Name:
4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
Formula:
C22H21N3O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.6 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 455.09734851 g/mol |
| Monoisotopic Mass | 455.09734851 g/mol |
| Topological Polar Surface Area | 124 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 927 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |