320422-27-3
Product Name:
N-[1-(TERT-BUTYL)-3-(4-CHLOROPHENYL)-4-CYANO-1H-PYRAZOL-5-YL]-2-CHLOROBENZENECARBOXAMIDE
Formula:
C21H18Cl2N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 413.3 g/mol |
|---|---|
| XLogP3 | 5.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 412.0857666 g/mol |
| Monoisotopic Mass | 412.0857666 g/mol |
| Topological Polar Surface Area | 70.7 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 605 |
| 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 |