478041-77-9
Product Name:
(Z)-3-[2-(2,4-DICHLOROPHENYL)-5,6,7,8-TETRAHYDROIMIDAZO[2,1-B][1,3]BENZOTHIAZOL-3-YL]-2-[3-(TRIFLUOROMETHYL)PHENYL]-2-PROPENENITRILE
Formula:
C25H16Cl2F3N3S
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COMPUTED DESCRIPTORS
Molecular Weight | 518.4 g/mol |
---|---|
XLogP3 | 8.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 517.0394086 g/mol |
Monoisotopic Mass | 517.0394086 g/mol |
Topological Polar Surface Area | 69.3 Ų |
Heavy Atom Count | 34 |
Formal Charge | 0 |
Complexity | 830 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |