Showing RIpred-Card for Avapritinib,2TBDMS,isomer#1 (RI01721996)

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 IDRI01721996
Compound Identification
Common NameAvapritinib,2TBDMS,isomer#1
Structure
Average Molecular Weight726.4134
SMILESCN1C=C(C2=CN3N=CN=C(N4CCN(C5=NC=C([C@](C)(C6=CC=C(F)C=C6)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=N5)CC4)C3=C2)C=N1
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4937.006
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices