![2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-fluorophenyl)acetamide](/api/spectrum/Efe147dw970/structure.png?h=300&w=458 "2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-fluorophenyl)acetamide")
| SpectraBase Compound ID | DfePBHZW9T |
|---|---|
| InChI | InChI=1S/C27H33ClFN5O3S/c1-3-31-13-15-32(16-14-31)11-4-12-33-23(18-25(35)30-20-7-5-19(29)6-8-20)26(36)34(27(33)38)21-9-10-24(37-2)22(28)17-21/h5-10,17,23H,3-4,11-16,18H2,1-2H3,(H,30,35) |
| InChIKey | DSRXRYRVFSCDSM-UHFFFAOYSA-N |
| Mol Weight | 562.1 g/mol |
| Molecular Formula | C27H33ClFN5O3S |
| Exact Mass | 561.197667 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Efe147dw970 |
|---|---|
| Name | 2-{1-(3-chloro-4-methoxyphenyl)-3-[3-(4-ethyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-fluorophenyl)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 | 561.197666977 u |
| Formula | C27H33ClFN5O3S |
| InChI | InChI=1S/C27H33ClFN5O3S/c1-3-31-13-15-32(16-14-31)11-4-12-33-23(18-25(35)30-20-7-5-19(29)6-8-20)26(36)34(27(33)38)21-9-10-24(37-2)22(28)17-21/h5-10,17,23H,3-4,11-16,18H2,1-2H3,(H,30,35) |
| InChIKey | DSRXRYRVFSCDSM-UHFFFAOYSA-N |
| Molecular Weight | 562.104 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8562 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219844 |