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2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(4-ethoxyphenyl)acetamide
SpectraBase Compound ID 94E8BwcBMb6
InChI InChI=1S/C23H22ClN5O3S/c1-2-32-18-9-7-17(8-10-18)26-21(30)15-33-23-27-20-6-4-3-5-19(20)22(31)29(23)12-11-28-14-16(24)13-25-28/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)
InChIKey WHQVYJNEFKVJCC-UHFFFAOYSA-N
Mol Weight 483.97 g/mol
Molecular Formula C23H22ClN5O3S
Exact Mass 483.113188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPq3GPMhITc
Name 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-(4-ethoxyphenyl)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/C23H22ClN5O3S/c1-2-32-18-9-7-17(8-10-18)26-21(30)15-33-23-27-20-6-4-3-5-19(20)22(31)29(23)12-11-28-14-16(24)13-25-28/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,30)
InChIKey WHQVYJNEFKVJCC-UHFFFAOYSA-N
NMR Offset 17.9117
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30737
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: 1724705; SBI_ID: SBI-030741
Temperature 303 °C