478077-68-8
Product Name:
3-(2-[(3-CHLOROBENZYL)SULFANYL]-4-PYRIMIDINYL)-1-(4-METHYLPHENYL)-4(1H)-PYRIDAZINONE
Formula:
C22H17ClN4OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 420.9 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 420.0811600 g/mol |
| Monoisotopic Mass | 420.0811600 g/mol |
| Topological Polar Surface Area | 83.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 634 |
| 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 |