Showing RIpred-Card for Rimegepant,2TBDMS,isomer#2 (RI01722083)

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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 IDRI01722083
Compound Identification
Common NameRimegepant,2TBDMS,isomer#2
Structure
Average Molecular Weight762.392
SMILESCC(C)(C)[Si](C)(C)N[C@@H]1C2=CC=CN=C2[C@H](OC(=O)N2CCC(N3C(=O)N([Si](C)(C)C(C)(C)C)C4=NC=CC=C43)CC2)CC[C@H]1C1=CC=CC(F)=C1F
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4745.6304
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices