303147-03-7
Product Name:
N-(5-CYANO-2-[(4-METHYLPHENYL)SULFANYL]PHENYL)-3-(TRIFLUOROMETHYL)BENZENECARBOXAMIDE
Formula:
C22H15F3N2OS
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COMPUTED DESCRIPTORS
Molecular Weight | 412.4 g/mol |
---|---|
XLogP3 | 5.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 4 |
Exact Mass | 412.08571877 g/mol |
Monoisotopic Mass | 412.08571877 g/mol |
Topological Polar Surface Area | 78.2 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 609 |
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 |