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7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID KEHb9LI7Y8J
InChI InChI=1S/C20H22F2N6O3S/c1-13-12-16(17(21)22)28-20(23-13)25-18(26-28)19(29)24-14-6-8-15(9-7-14)32(30,31)27-10-4-2-3-5-11-27/h6-9,12,17H,2-5,10-11H2,1H3,(H,24,29)
InChIKey ORTYCEUGQJAILB-UHFFFAOYSA-N
Mol Weight 464.49 g/mol
Molecular Formula C20H22F2N6O3S
Exact Mass 464.144216 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H9khxDGJuoq
Name 7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
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/C20H22F2N6O3S/c1-13-12-16(17(21)22)28-20(23-13)25-18(26-28)19(29)24-14-6-8-15(9-7-14)32(30,31)27-10-4-2-3-5-11-27/h6-9,12,17H,2-5,10-11H2,1H3,(H,24,29)
InChIKey ORTYCEUGQJAILB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3038
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: 9313802; UBI_ID: UBI-003039
Temperature 308 °C