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

View entire compound with spectra: 1 NMR

2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID GEFLDXdFdGe
InChI InChI=1S/C25H19ClF3N3O2S2/c26-14-9-11-15(12-10-14)32-23(34)21-16-5-1-4-8-19(16)36-22(21)31-24(32)35-13-20(33)30-18-7-3-2-6-17(18)25(27,28)29/h2-3,6-7,9-12H,1,4-5,8,13H2,(H,30,33)
InChIKey SMLBHCUVPDRRCN-UHFFFAOYSA-N
Mol Weight 550.01 g/mol
Molecular Formula C25H19ClF3N3O2S2
Exact Mass 549.055931 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CkD5NdmVAni
Name 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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/C25H19ClF3N3O2S2/c26-14-9-11-15(12-10-14)32-23(34)21-16-5-1-4-8-19(16)36-22(21)31-24(32)35-13-20(33)30-18-7-3-2-6-17(18)25(27,28)29/h2-3,6-7,9-12H,1,4-5,8,13H2,(H,30,33)
InChIKey SMLBHCUVPDRRCN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19299
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: D13292; Labnumber: GRES-04645; SBI_ID: SBI-019302
Temperature 315 °C