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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-fluorophenyl)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-fluorophenyl)acetamide
SpectraBase Compound ID JSeiRFV6uzV
InChI InChI=1S/C24H19BrFN3O2S2/c25-14-5-11-17(12-6-14)29-23(31)21-18-3-1-2-4-19(18)33-22(21)28-24(29)32-13-20(30)27-16-9-7-15(26)8-10-16/h5-12H,1-4,13H2,(H,27,30)
InChIKey RHWGVCFESGTLSA-UHFFFAOYSA-N
Mol Weight 544.46 g/mol
Molecular Formula C24H19BrFN3O2S2
Exact Mass 543.00861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BUb9V9kq1qa
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-fluorophenyl)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/C24H19BrFN3O2S2/c25-14-5-11-17(12-6-14)29-23(31)21-18-3-1-2-4-19(18)33-22(21)28-24(29)32-13-20(30)27-16-9-7-15(26)8-10-16/h5-12H,1-4,13H2,(H,27,30)
InChIKey RHWGVCFESGTLSA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17070
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: D25477; Labnumber: GRES-04551; SBI_ID: SBI-017073
Temperature 308 °C