530137-66-7
Product Name:
4-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C22H18N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 406.5 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.09872823 g/mol |
| Monoisotopic Mass | 406.09872823 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 571 |
| 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 |