586394-17-4
Product Name:
2-[[[[3-(5-BROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Formula:
C18H14BrClN2O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 469.7 g/mol |
---|---|
XLogP3 | 4.8 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 467.95462 g/mol |
Monoisotopic Mass | 467.95462 g/mol |
Topological Polar Surface Area | 120 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 592 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 1 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |