Showing RIpred-Card for Ubrogepant,1TMS,isomer#2 (RI01722420)

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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 IDRI01722420
Compound Identification
Common NameUbrogepant,1TMS,isomer#2
Structure
Average Molecular Weight621.2383
SMILESC[C@@H]1[C@H](C2=CC=CC=C2)C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)N([Si](C)(C)C)C2=NC=CC=C24)C(=O)N1CC(F)(F)F
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3872.3894
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices