900888-71-3
Product Name:
N-[(3Z)-3-[2-(butylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-2-chlorobenzamide
Formula:
C22H19ClN4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.9 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.1196536 g/mol |
| Monoisotopic Mass | 406.1196536 g/mol |
| Topological Polar Surface Area | 94.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 751 |
| 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 |