321534-67-2
Product Name:
(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-3-METHYL-1H-PYRAZOL-4-YL)(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)METHANONE
Formula:
C21H16Cl2F6N6O
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COMPUTED DESCRIPTORS
Molecular Weight | 553.3 g/mol |
---|---|
XLogP3 | 4.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 3 |
Exact Mass | 552.0666835 g/mol |
Monoisotopic Mass | 552.0666835 g/mol |
Topological Polar Surface Area | 67.2 Ų |
Heavy Atom Count | 36 |
Formal Charge | 0 |
Complexity | 783 |
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 |