Showing RIpred-Card for Berotralstat,3TMS,isomer#2 (RI01722139)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722139
Compound Identification
Common NameBerotralstat,3TMS,isomer#2
Structure
Average Molecular Weight778.329
SMILESC[Si](C)(C)N(CC1CC1)[C@H](C1=CC=CC(C#N)=C1)C1=CC=C(F)C(NC(=O)C2=CC(C(F)(F)F)=NN2C2=CC=CC(CN([Si](C)(C)C)[Si](C)(C)C)=C2)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4284.8926
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices