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Reference, SMILES, CAS, Chemical name...

Amb19885930

Duplicate ID
SmilesO=S(=O)(c1ccc(cc1)C(F)(F)F)N1C[C@H](COCC1)Oc1c[n]cc[n]1
InchiKeyDYVGRAHWBYONSQ-CYBMUJFWSA-N
InChi InChI=1S/C16H16F3N3O4S/c17-16(18,19)12-1-3-14(4-2-12)27(23,24)22-7-8-25-11-13(10-22)26-15-9-20-5-6-21-15/h1-6,9,13H,7-8,10-11H2/t13-/m1/s1
Formula C16H16F3N3O4S
Molecular weight 403.376
Rings 3
logP 2.9826
PSA 90
MR 91.151
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