![4-imidazolidineacetamide, 1-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-](/api/spectrum/2s52bzmItaU/structure.png?h=300&w=458 "4-imidazolidineacetamide, 1-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-")
| SpectraBase Compound ID | R5Ox18btBS |
|---|---|
| InChI | InChI=1S/C32H35ClFN5O3S/c1-42-29-13-12-26(20-27(29)33)39-31(41)28(21-30(40)35-25-10-8-24(34)9-11-25)38(32(39)43)15-5-14-36-16-18-37(19-17-36)22-23-6-3-2-4-7-23/h2-4,6-13,20,28H,5,14-19,21-22H2,1H3,(H,35,40) |
| InChIKey | UYCKBFFCORJRQZ-UHFFFAOYSA-N |
| Mol Weight | 624.2 g/mol |
| Molecular Formula | C32H35ClFN5O3S |
| Exact Mass | 623.213317 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 2s52bzmItaU |
|---|---|
| Name | 4-imidazolidineacetamide, 1-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-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 | 623.213317041 u |
| Formula | C32H35ClFN5O3S |
| InChI | InChI=1S/C32H35ClFN5O3S/c1-42-29-13-12-26(20-27(29)33)39-31(41)28(21-30(40)35-25-10-8-24(34)9-11-25)38(32(39)43)15-5-14-36-16-18-37(19-17-36)22-23-6-3-2-4-7-23/h2-4,6-13,20,28H,5,14-19,21-22H2,1H3,(H,35,40) |
| InChIKey | UYCKBFFCORJRQZ-UHFFFAOYSA-N |
| Molecular Weight | 624.175 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_454 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238926 |