339098-58-7
Product Name:
1-ADAMANTYL(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHANONE
Formula:
C21H25ClF3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 427.9 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 427.1638246 g/mol |
| Monoisotopic Mass | 427.1638246 g/mol |
| Topological Polar Surface Area | 36.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 608 |
| 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 |