Showing RIpred-Card for Berotralstat,2TBDMS,isomer#3 (RI01722129)

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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 IDRI01722129
Compound Identification
Common NameBerotralstat,2TBDMS,isomer#3
Structure
Average Molecular Weight790.3834
SMILESCC(C)(C)[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@@H](C3=CC=CC(C#N)=C3)N(CC3CC3)[Si](C)(C)C(C)(C)C)=CC=C2F)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4122.573
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices