532947-59-4
Product Name:
3,5-DIBROMO-2-[[[[(4-ETHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C18H16Br2N2O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 516.2 g/mol |
---|---|
XLogP3 | 5.3 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 6 |
Exact Mass | 515.91770 g/mol |
Monoisotopic Mass | 513.91975 g/mol |
Topological Polar Surface Area | 120 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 544 |
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 |