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Reference, SMILES, CAS, Chemical name...

Amb10066842

Duplicate ID
SmilesO=S(=O)(c1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)Nc1ncnc(c1)n1cncc1
Cas Number 1170607-81-4
InchiKeyLPHKFCVPLAMTND-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
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