2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-2-(4-morpholinyl)ethyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	A1uD2LNRoON
InChI	InChI=1S/C20H25N5O2S/c1-2-5-16-15(14-21-8-9-24-10-12-27-13-11-24)19(26)25(23-16)20-22-17-6-3-4-7-18(17)28-20/h3-4,6-7,14,23H,2,5,8-13H2,1H3/b21-14+
InChIKey	IJKFLEPPBWNWGC-KGENOOAVSA-N Google Search
Mol Weight	399.51 g/mol
Molecular Formula	C20H25N5O2S
Exact Mass	399.172896 g/mol

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SpectraBase Spectrum ID	Hhzhigte3Vx
Name	2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-2-(4-morpholinyl)ethyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
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/C20H25N5O2S/c1-2-5-16-15(14-21-8-9-24-10-12-27-13-11-24)19(26)25(23-16)20-22-17-6-3-4-7-18(17)28-20/h3-4,6-7,14,23H,2,5,8-13H2,1H3/b21-14+
InChIKey	IJKFLEPPBWNWGC-KGENOOAVSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13245
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: 102450; Labnumber: VOR8-8577; VK_ID: VK-013250
Synonyms	2-(1,3-benzothiazol-2-yl)-4-({[2-(4-morpholinyl)ethyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Temperature	318 °C