477869-56-0
Product Name:
2-[(2-NITRO-4-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)PHENYL)SULFANYL]-1,3-BENZOTHIAZOLE
Formula:
C21H13F3N2O3S2
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COMPUTED DESCRIPTORS
Molecular Weight | 462.5 g/mol |
---|---|
XLogP3 | 7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 5 |
Exact Mass | 462.03196911 g/mol |
Monoisotopic Mass | 462.03196911 g/mol |
Topological Polar Surface Area | 122 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 622 |
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 |