1024729-10-9
Product Name:
3-(tert-Butyl)-4-((6-nitrobenzo[3,4-d]1,3-dioxolen-5-yl)methylene)-1-phenyl-2-pyrazolin-5-one
Formula:
C21H19N3O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 393.4 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 393.13247072 g/mol |
| Monoisotopic Mass | 393.13247072 g/mol |
| Topological Polar Surface Area | 97 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 730 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |