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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methylphenyl)-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-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 8aIiqjcUh76
InChI InChI=1S/C26H21ClF3N3O2S2/c1-14-6-9-16(10-7-14)33-24(35)22-17-4-2-3-5-20(17)37-23(22)32-25(33)36-13-21(34)31-19-12-15(26(28,29)30)8-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey SULJDFNCJJLYGT-UHFFFAOYSA-N
Mol Weight 564.04 g/mol
Molecular Formula C26H21ClF3N3O2S2
Exact Mass 563.071581 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vr5vOy0kX4
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methylphenyl)-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/C26H21ClF3N3O2S2/c1-14-6-9-16(10-7-14)33-24(35)22-17-4-2-3-5-20(17)37-23(22)32-25(33)36-13-21(34)31-19-12-15(26(28,29)30)8-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey SULJDFNCJJLYGT-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17336
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: D25601; Labnumber: GRES-04690; SBI_ID: SBI-017339
Temperature 306 °C