338773-03-8
Product Name:
1-[2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-5-(TRIFLUOROMETHYL)PHENYL]-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Formula:
C22H15ClF6N6O2
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COMPUTED DESCRIPTORS
Molecular Weight | 544.8 g/mol |
---|---|
XLogP3 | 4.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 3 |
Exact Mass | 544.0849204 g/mol |
Monoisotopic Mass | 544.0849204 g/mol |
Topological Polar Surface Area | 92.6 Ų |
Heavy Atom Count | 37 |
Formal Charge | 0 |
Complexity | 973 |
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 |