131206-48-9
Product Name:
7-[(3-Chloro-6-Methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11(6H)-ylidene)aMino]heptanoic Acid
Formula:
C21H23ClN2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 434.9 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 434.1067061 g/mol |
| Monoisotopic Mass | 434.1067061 g/mol |
| Topological Polar Surface Area | 95.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 706 |
| 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 |