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(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one

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(5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
SpectraBase Compound ID INC7D36oEWs
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-5-6-19(14-21(16)27)32-9-11-33(12-10-32)25-31-24(34)23(36-25)15-20-7-8-22(35-20)17-3-2-4-18(13-17)26(28,29)30/h2-8,13-15H,9-12H2,1H3/b23-15+
InChIKey CTLAJHXTDOUVBV-HZHRSRAPSA-N
Mol Weight 531.98 g/mol
Molecular Formula C26H21ClF3N3O2S
Exact Mass 531.09951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2PFLb3OCrYt
Name (5E)-2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H21ClF3N3O2S/c1-16-5-6-19(14-21(16)27)32-9-11-33(12-10-32)25-31-24(34)23(36-25)15-20-7-8-22(35-20)17-3-2-4-18(13-17)26(28,29)30/h2-8,13-15H,9-12H2,1H3/b23-15+
InChIKey CTLAJHXTDOUVBV-HZHRSRAPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12368
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D71860; Labnumber: VLMK0452; SBI_ID: SBI-012371
Synonyms 2-[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-5-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-1,3-thiazol-4(5H)-one
Temperature 308 °C