931610-22-9
Product Name:
2-Benzothiazolepropanoic acid, β-[[3-[(4-methylbenzoyl)amino]phenyl]methylene]-
Formula:
C25H20N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.5 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 428.11946368 g/mol |
| Monoisotopic Mass | 428.11946368 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 674 |
| 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 |