531515-38-5
Product Name:
2-[[[(3-BROMO-4-ETHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-CHLORO-BENZOIC ACID
Formula:
C17H14BrClN2O4S
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COMPUTED DESCRIPTORS
Molecular Weight | 457.7 g/mol |
---|---|
XLogP3 | 4.7 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 455.95462 g/mol |
Monoisotopic Mass | 455.95462 g/mol |
Topological Polar Surface Area | 120 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 539 |
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 |