1030386-38-9
Product Name:
4-[5-(1,3-BENZODIOXOL-5-YL)-1H-PYRAZOL-3-YL]-1-[(2-NITROPHENYL)SULFONYL]PIPERIDINE
Formula:
C21H20N4O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.5 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 456.11035554 g/mol |
| Monoisotopic Mass | 456.11035554 g/mol |
| Topological Polar Surface Area | 139 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 778 |
| 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 |