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| Duplicate ID | |
|---|---|
| Smiles | O=S(=O)(c1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)Nc1ncnc(c1)n1cncc1 |
| Cas Number | 1170607-81-4 |
| InchiKey | LPHKFCVPLAMTND-UHFFFAOYSA-N |
| InChi | InChI=1S/C20H15F3N6O2S/c21-20(22,23)14-1-7-17(8-2-14)32(30,31)28-16-5-3-15(4-6-16)27-18-11-19(26-12-25-18)29-10-9-24-13-29/h1-13,28H,(H,25,26,27) |
| Formula | C20H15F3N6O2S |
| Molecular weight | 460.432 |
| Rings | 4 |
| logP | 5.4523 |
| PSA | 110.18 |
| MR | 110.813 |