885183-39-1
Product Name:
N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide
Formula:
C21H17N5O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 419.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 419.12296866 g/mol |
| Monoisotopic Mass | 419.12296866 g/mol |
| Topological Polar Surface Area | 149 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 829 |
| 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 |