![4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-[3-(methylthio)phenyl]-5-oxo-2-thioxo-](/api/spectrum/GCytKfvALFw/structure.png?h=300&w=458 "4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-[3-(methylthio)phenyl]-5-oxo-2-thioxo-")
| SpectraBase Compound ID | CKE1EGnzWDh |
|---|---|
| InChI | InChI=1S/C31H33ClFN5O2S2/c1-42-27-5-2-4-26(20-27)38-30(40)28(21-29(39)34-24-10-6-22(32)7-11-24)37(31(38)41)15-3-14-35-16-18-36(19-17-35)25-12-8-23(33)9-13-25/h2,4-13,20,28H,3,14-19,21H2,1H3,(H,34,39) |
| InChIKey | HIPONTQUJQXRSN-UHFFFAOYSA-N |
| Mol Weight | 626.2 g/mol |
| Molecular Formula | C31H33ClFN5O2S2 |
| Exact Mass | 625.174824 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GCytKfvALFw |
|---|---|
| Name | 4-imidazolidineacetamide, N-(4-chlorophenyl)-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-[3-(methylthio)phenyl]-5-oxo-2-thioxo- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 625.174823532 u |
| Formula | C31H33ClFN5O2S2 |
| InChI | InChI=1S/C31H33ClFN5O2S2/c1-42-27-5-2-4-26(20-27)38-30(40)28(21-29(39)34-24-10-6-22(32)7-11-24)37(31(38)41)15-3-14-35-16-18-36(19-17-35)25-12-8-23(33)9-13-25/h2,4-13,20,28H,3,14-19,21H2,1H3,(H,34,39) |
| InChIKey | HIPONTQUJQXRSN-UHFFFAOYSA-N |
| Molecular Weight | 626.209 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_2364 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13268687 |