883042-07-7
Product Name:
Benzonitrile, 4-[4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-1-piperazinyl]-
Formula:
C22H18Cl2N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 441.3 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 440.0806812 g/mol |
| Monoisotopic Mass | 440.0806812 g/mol |
| Topological Polar Surface Area | 73.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 645 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |