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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID IevFh11xuRa
InChI InChI=1S/C27H25N3O5S2/c1-33-18-9-7-17(8-10-18)30-26(32)24-19-4-2-3-5-22(19)37-25(24)29-27(30)36-15-23(31)28-16-6-11-20-21(14-16)35-13-12-34-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,28,31)
InChIKey JDMKFAOQONOKFP-UHFFFAOYSA-N
Mol Weight 535.63 g/mol
Molecular Formula C27H25N3O5S2
Exact Mass 535.123563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZGKyJ53etB
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-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/C27H25N3O5S2/c1-33-18-9-7-17(8-10-18)30-26(32)24-19-4-2-3-5-22(19)37-25(24)29-27(30)36-15-23(31)28-16-6-11-20-21(14-16)35-13-12-34-20/h6-11,14H,2-5,12-13,15H2,1H3,(H,28,31)
InChIKey JDMKFAOQONOKFP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17111
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: D25529; Labnumber: GRES-04607; SBI_ID: SBI-017114
Temperature 308 °C