586995-54-2
Product Name:
(E)-2-chlorobenzaldehyde O-((7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methyl) oxime
Formula:
C20H14ClN7O
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COMPUTED DESCRIPTORS
| Molecular Weight | 403.8 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 403.0948358 g/mol |
| Monoisotopic Mass | 403.0948358 g/mol |
| Topological Polar Surface Area | 82.5 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 575 |
| 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 |