400076-75-7
Product Name:
(3E)-3-[(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxoethoxy)imino]-2-(4-chlorophenyl)propanenitrile
Formula:
C21H18Cl2F3N5O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 500.3 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 499.0789647 g/mol |
| Monoisotopic Mass | 499.0789647 g/mol |
| Topological Polar Surface Area | 81.8 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 731 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |