Showing RIpred-Card for Berotralstat,3TMS,isomer#3 (RI01722122)

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 IDRI01722122
Compound Identification
Common NameBerotralstat,3TMS,isomer#3
Structure
Average Molecular Weight778.329
SMILESC[Si](C)(C)NCC1=CC=CC(N2N=C(C(F)(F)F)C=C2C(=O)N(C2=CC([C@@H](C3=CC=CC(C#N)=C3)N(CC3CC3)[Si](C)(C)C)=CC=C2F)[Si](C)(C)C)=C1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3776.0913
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices