Showing RIpred-Card for Rimegepant,1TBDMS,isomer#2 (RI01722091)

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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 IDRI01722091
Compound Identification
Common NameRimegepant,1TBDMS,isomer#2
Structure
Average Molecular Weight648.3056
SMILESCC(C)(C)[Si](C)(C)N1C(=O)N(C2CCN(C(=O)O[C@@H]3CC[C@@H](C4=CC=CC(F)=C4F)[C@H](N)C4=CC=CN=C43)CC2)C2=CC=CN=C21
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index6147.6914
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices