Showing RIpred-Card for Rimegepant,3TBDMS,isomer#1 (RI01722094)

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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 IDRI01722094
Compound Identification
Common NameRimegepant,3TBDMS,isomer#1
Structure
Average Molecular Weight876.4785
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)[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index5161.0547
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices