Showing RIpred-Card for Berotralstat,1TMS,isomer#1 (RI01722149)

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 IDRI01722149
Compound Identification
Common NameBerotralstat,1TMS,isomer#1
Structure
Average Molecular Weight634.2499
SMILESC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)NC2=CC([C@H](NCC3CC3)C3=CC=CC(C#N)=C3)=CC=C2F)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5538.8516
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices