Showing RIpred-Card for Berotralstat,1TMS,isomer#2 (RI01722114)

Jump To Section:
IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01722114
Compound Identification
Common NameBerotralstat,1TMS,isomer#2
Structure
Average Molecular Weight634.2499
SMILESC[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 Index3933.0962
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices