882259-74-7
Product Name:
3-((4-CHLOROPHENYL)SULFONYL)-4-(PYRIMIDIN-2-YLAMINO)BUT-3-EN-2-ONE
Formula:
C14H12ClN3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 337.8 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 337.0287901 g/mol |
| Monoisotopic Mass | 337.0287901 g/mol |
| Topological Polar Surface Area | 97.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 |