851780-62-6
Product Name:
4-(3-(3-(methylsulfonamido)phenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Formula:
C18H19N3O5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.5 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 421.07661306 g/mol |
| Monoisotopic Mass | 421.07661306 g/mol |
| Topological Polar Surface Area | 153 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 734 |
| 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 |