532389-14-3
Product Name:
5-BROMO-2-[[[[4-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C22H17BrN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 485.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 484.00924 g/mol |
| Monoisotopic Mass | 484.00924 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 606 |
| 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 |