Showing RIpred-Card for Berotralstat,2TMS,isomer#2 (RI01722135)

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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 IDRI01722135
Compound Identification
Common NameBerotralstat,2TMS,isomer#2
Structure
Average Molecular Weight706.2895
SMILESC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)N(C2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)[Si](C)(C)C)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4146.4736
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices