Showing RIpred-Card for Berotralstat,1TBDMS,isomer#2 (RI01722143)

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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 IDRI01722143
Compound Identification
Common NameBerotralstat,1TBDMS,isomer#2
Structure
Average Molecular Weight676.2969
SMILESCC(C)(C)[Si](C)(C)N(C(=O)C1=CC(C(F)(F)F)=NN1C1=CC=CC(CN)=C1)C1=CC([C@H](NCC2CC2)C2=CC=CC(C#N)=C2)=CC=C1F
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4258.2056
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices