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2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-cyclohexylacetamide
SpectraBase Compound ID IqPOr9aAaFb
InChI InChI=1S/C21H24ClN5O2S/c22-15-12-23-26(13-15)10-11-27-20(29)17-8-4-5-9-18(17)25-21(27)30-14-19(28)24-16-6-2-1-3-7-16/h4-5,8-9,12-13,16H,1-3,6-7,10-11,14H2,(H,24,28)
InChIKey UQDXUYJOVFMIHB-UHFFFAOYSA-N
Mol Weight 445.97 g/mol
Molecular Formula C21H24ClN5O2S
Exact Mass 445.133924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JRePKdTPPr
Name 2-({3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-oxo-3,4-dihydro-2-quinazolinyl}sulfanyl)-N-cyclohexylacetamide
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/C21H24ClN5O2S/c22-15-12-23-26(13-15)10-11-27-20(29)17-8-4-5-9-18(17)25-21(27)30-14-19(28)24-16-6-2-1-3-7-16/h4-5,8-9,12-13,16H,1-3,6-7,10-11,14H2,(H,24,28)
InChIKey UQDXUYJOVFMIHB-UHFFFAOYSA-N
NMR Offset 17.9123
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Origin 1H_SBI_36227_30748
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: 1724843; SBI_ID: SBI-030752
Temperature 303 °C