1164529-81-0
Product Name:
1-(4-(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)phenyl)-3-(dimethylamino)-2-propen-1-one
Formula:
C21H22ClF3N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.9 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 438.1434235 g/mol |
| Monoisotopic Mass | 438.1434235 g/mol |
| Topological Polar Surface Area | 39.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 600 |
| 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 |