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

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2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 8QsdSy8W1Vo
InChI InChI=1S/C25H22BrN3O3S2/c1-32-18-12-8-16(9-13-18)27-21(30)14-33-25-28-23-22(19-4-2-3-5-20(19)34-23)24(31)29(25)17-10-6-15(26)7-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey FDKPKDYZYUCEHY-UHFFFAOYSA-N
Mol Weight 556.49 g/mol
Molecular Formula C25H22BrN3O3S2
Exact Mass 555.028597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5WroBR8nG23
Name 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)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/C25H22BrN3O3S2/c1-32-18-12-8-16(9-13-18)27-21(30)14-33-25-28-23-22(19-4-2-3-5-20(19)34-23)24(31)29(25)17-10-6-15(26)7-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey FDKPKDYZYUCEHY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17061
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: D25468; Labnumber: GRES-04542; SBI_ID: SBI-017064
Temperature 308 °C