461414-06-2
Product Name:
3-[[[[(2,4-DIBROMO-6-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
Formula:
C18H16Br2N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.2 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| 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 | 566 |
| 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 |