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N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

View entire compound with spectra: 1 NMR

N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 2QfCpuXje7X
InChI InChI=1S/C24H17BrClF2N3O2S2/c25-16-9-13(27)10-17(28)21(16)29-19(32)11-34-24-30-22-20(15-3-1-2-4-18(15)35-22)23(33)31(24)14-7-5-12(26)6-8-14/h5-10H,1-4,11H2,(H,29,32)
InChIKey PESAFWBOLZCLSU-UHFFFAOYSA-N
Mol Weight 596.89 g/mol
Molecular Formula C24H17BrClF2N3O2S2
Exact Mass 594.960216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9pYwCpz2CRW
Name N-(2-bromo-4,6-difluorophenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}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/C24H17BrClF2N3O2S2/c25-16-9-13(27)10-17(28)21(16)29-19(32)11-34-24-30-22-20(15-3-1-2-4-18(15)35-22)23(33)31(24)14-7-5-12(26)6-8-14/h5-10H,1-4,11H2,(H,29,32)
InChIKey PESAFWBOLZCLSU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17387
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: D25565; Labnumber: GRES-04648; SBI_ID: SBI-017390
Temperature 308 °C