Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722415
Compound Identification
Common NameElexacaftor/Ivacaftor/Tezacaftor,1TMS,isomer#1
Structure
Average Molecular Weight669.274
SMILESCC1=NN(C)C=C1S(=O)(=O)N(C(=O)C1=CC=C(N2C=CC(OCC(C)(C)C(F)(F)F)=N2)N=C1N1C[C@@H](C)CC1(C)C)[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3798.845
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices