6-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-ylamine

SpectraBase Compound ID	8LIbKxQuCXm
InChI	InChI=1S/C25H18F3N3O3S/c26-25(27,28)16-10-17(14-5-6-18-19(9-14)34-12-33-18)30-23-20(16)21(29)22(35-23)24(32)31-8-7-13-3-1-2-4-15(13)11-31/h1-6,9-10H,7-8,11-12,29H2
InChIKey	FOAHQQQSBUWVHE-UHFFFAOYSA-N Google Search
Mol Weight	497.49 g/mol
Molecular Formula	C25H18F3N3O3S
Exact Mass	497.102097 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7c5Wa65MhOh
Name	6-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-ylamine
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/C25H18F3N3O3S/c26-25(27,28)16-10-17(14-5-6-18-19(9-14)34-12-33-18)30-23-20(16)21(29)22(35-23)24(32)31-8-7-13-3-1-2-4-15(13)11-31/h1-6,9-10H,7-8,11-12,29H2
InChIKey	FOAHQQQSBUWVHE-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25677
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: D60549; Labnumber: SHES3-0352; SBI_ID: SBI-025681
Synonyms	6-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
Temperature	308 °C