| Formula |
C29H40N8O4S |
| IUPAC Name |
tert-butyl 4-[[2-[4-cyano-n-[(3-methylimidazol-4-yl)methyl]anilino]ethyl-[(3-methyl-4h-imidazol-3-ium-4-ylium-5-yl)sulfonyl]amino]methyl]piperidine-1-carboxylate |
| Molecular Mass |
596.744 g·mol−1 |
| Heat of Formation |
-370.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
11.01 ± 1.08 D |
| Volume |
740.65 Å 3 |
| Surface Area |
516.14 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
-0.60 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[[2-[(4-cyanophenyl)-[(3-methyl-4-imidazolyl)methyl]amino]ethyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester
- 4-[[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]piperidine-1-carboxylic acid tert-butyl ester
- tert-butyl 4-[[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl-(1-methylimidazol-4-yl)sulfonyl-amino]methyl]piperidine-1-carboxylate
- tert-butyl 4-[[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl-(1-methylimidazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
|
| InChIKey |
NYTPJJDEMIZHPE-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
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