1024693-74-0
Product Name:
3-(TERT-BUTYL)-4-((4-((4-NITROPHENYL)METHOXY)PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Formula:
C27H25N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 455.5 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 455.18450629 g/mol |
| Monoisotopic Mass | 455.18450629 g/mol |
| Topological Polar Surface Area | 87.7 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 788 |
| 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 |