478081-13-9
Product Name:
(4-BENZYLPIPERAZINO)(2-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]-3-PYRIDINYL)METHANONE
Formula:
C21H22F3N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.5 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 421.14356799 g/mol |
| Monoisotopic Mass | 421.14356799 g/mol |
| Topological Polar Surface Area | 61.7 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 559 |
| 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 |