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N-(4-butoxyphenyl)-2-{1-(4-chlorophenyl)-3-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-oxo-2-thioxo-4-imidazolidinyl}acetamide

View entire compound with spectra: 1 NMR

N-(4-butoxyphenyl)-2-{1-(4-chlorophenyl)-3-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-oxo-2-thioxo-4-imidazolidinyl}acetamide
SpectraBase Compound ID JIg2znzRNi2
InChI InChI=1S/C31H29ClFN5O3S/c1-2-3-16-41-27-14-10-24(11-15-27)35-29(39)17-28-30(40)38(25-12-6-22(32)7-13-25)31(42)37(28)26-18-34-36(20-26)19-21-4-8-23(33)9-5-21/h4-15,18,20,28H,2-3,16-17,19H2,1H3,(H,35,39)
InChIKey AYLRIFMDTSMDQG-UHFFFAOYSA-N
Mol Weight 606.12 g/mol
Molecular Formula C31H29ClFN5O3S
Exact Mass 605.166367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9jAqheSaiNo
Name N-(4-butoxyphenyl)-2-{1-(4-chlorophenyl)-3-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-oxo-2-thioxo-4-imidazolidinyl}acetamide
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/C31H29ClFN5O3S/c1-2-3-16-41-27-14-10-24(11-15-27)35-29(39)17-28-30(40)38(25-12-6-22(32)7-13-25)31(42)37(28)26-18-34-36(20-26)19-21-4-8-23(33)9-5-21/h4-15,18,20,28H,2-3,16-17,19H2,1H3,(H,35,39)
InChIKey AYLRIFMDTSMDQG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_249
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: UZI/1011095; Labnumber: 6020734; UZI_ID: UZI-000250
Temperature 313 °C