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N-(3-chloro-4-fluorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide

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N-(3-chloro-4-fluorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID DiFubLGCPcb
InChI InChI=1S/C19H12Cl2FN5OS/c20-11-1-4-13(5-2-11)27-18-14(8-25-27)19(24-10-23-18)29-9-17(28)26-12-3-6-16(22)15(21)7-12/h1-8,10H,9H2,(H,26,28)
InChIKey AEDKUKOAXXJLOY-UHFFFAOYSA-N
Mol Weight 448.3 g/mol
Molecular Formula C19H12Cl2FN5OS
Exact Mass 447.012365 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C3vjCTEFxpO
Name N-(3-chloro-4-fluorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-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/C19H12Cl2FN5OS/c20-11-1-4-13(5-2-11)27-18-14(8-25-27)19(24-10-23-18)29-9-17(28)26-12-3-6-16(22)15(21)7-12/h1-8,10H,9H2,(H,26,28)
InChIKey AEDKUKOAXXJLOY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9997
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: D62353; Labnumber: UDSG-06238; SBI_ID: SBI-010000
Temperature 308 °C