![2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide](/api/spectrum/CejuWLOSlEc/structure.png?h=300&w=458 "2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide")
| SpectraBase Compound ID | 81acpB2PYXL |
|---|---|
| InChI | InChI=1S/C31H33Cl2N5O2S/c32-24-10-12-26(13-11-24)34-29(39)21-28-30(40)38(27-9-4-8-25(33)20-27)31(41)37(28)15-5-14-35-16-18-36(19-17-35)22-23-6-2-1-3-7-23/h1-4,6-13,20,28H,5,14-19,21-22H2,(H,34,39) |
| InChIKey | OFHKWQNSBJRKHM-UHFFFAOYSA-N |
| Mol Weight | 610.6 g/mol |
| Molecular Formula | C31H33Cl2N5O2S |
| Exact Mass | 609.173202 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CejuWLOSlEc |
|---|---|
| Name | 2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)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 | 609.173201895 u |
| Formula | C31H33Cl2N5O2S |
| InChI | InChI=1S/C31H33Cl2N5O2S/c32-24-10-12-26(13-11-24)34-29(39)21-28-30(40)38(27-9-4-8-25(33)20-27)31(41)37(28)15-5-14-35-16-18-36(19-17-35)22-23-6-2-1-3-7-23/h1-4,6-13,20,28H,5,14-19,21-22H2,(H,34,39) |
| InChIKey | OFHKWQNSBJRKHM-UHFFFAOYSA-N |
| Molecular Weight | 610.604 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5442 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319144 |