Showing RIpred-Card for Berotralstat,1TBDMS,isomer#3 (RI01722126)

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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 IDRI01722126
Compound Identification
Common NameBerotralstat,1TBDMS,isomer#3
Structure
Average Molecular Weight676.2969
SMILESCC(C)(C)[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)=C2)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3835.3892
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices