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| Duplicate ID | |
|---|---|
| Smiles | CCCCCOc1ccccc1/C=N/NC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1)Cl |
| Cas Number | |
| InchiKey | AWKUAXPPBZICHO-TURZUDJPSA-N |
| InChi | InChI=1S/C26H28ClN3O4S/c1-2-3-9-17-34-25-16-8-7-11-21(25)19-28-29-26(31)20-30(23-13-10-12-22(27)18-23)35(32,33)24-14-5-4-6-15-24/h4-8,10-16,18-19H,2-3,9,17,20H2,1H3,(H,29,31)/b28-19+ |
| Formula | C26H28ClN3O4S |
| Molecular weight | 514.036 |
| Rings | 3 |
| logP | 6.7263 |
| PSA | 96.45 |
| MR | 139.975 |