531542-34-4
Product Name:
4-METHYL-3-[[[[[5-METHYL-2-(1-METHYLETHYL)PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula:
C21H24N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 400.5 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 400.14567842 g/mol |
| Monoisotopic Mass | 400.14567842 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 569 |
| 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 |