578003-95-9
Product Name:
{4-[(Z)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid
Formula:
C22H17BrN4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 481.3 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 480.04332 g/mol |
| Monoisotopic Mass | 480.04332 g/mol |
| Topological Polar Surface Area | 142 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 884 |
| 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 |