![2-{1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/6Im61STuiz9/structure.png?h=300&w=458 "2-{1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | 95QHZE3rbEZ |
|---|---|
| InChI | InChI=1S/C27H34ClN5O3S/c1-3-17-36-23-9-7-21(8-10-23)29-25(34)19-24-26(35)33(22-6-4-5-20(28)18-22)27(37)32(24)16-15-31-13-11-30(2)12-14-31/h4-10,18,24H,3,11-17,19H2,1-2H3,(H,29,34) |
| InChIKey | VXGJLZPFYNHRFW-UHFFFAOYSA-N |
| Mol Weight | 544.1 g/mol |
| Molecular Formula | C27H34ClN5O3S |
| Exact Mass | 543.207089 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6Im61STuiz9 |
|---|---|
| Name | 2-{1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 543.207088846 u |
| Formula | C27H34ClN5O3S |
| InChI | InChI=1S/C27H34ClN5O3S/c1-3-17-36-23-9-7-21(8-10-23)29-25(34)19-24-26(35)33(22-6-4-5-20(28)18-22)27(37)32(24)16-15-31-13-11-30(2)12-14-31/h4-10,18,24H,3,11-17,19H2,1-2H3,(H,29,34) |
| InChIKey | VXGJLZPFYNHRFW-UHFFFAOYSA-N |
| Molecular Weight | 544.114 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2501 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279543 |