Formula |
C25H27N7O2S |
IUPAC Name |
n-benzyl-n-[2-[4-cyano-n-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-1-methyl-imidazole-4-sulfonamide |
Molecular Mass |
489.593 g·mol−1 |
Heat of Formation |
257.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.33 ± 1.08 D |
Volume |
585.71 Å 3 |
Surface Area |
440.96 Å 2 |
HOMO Energy |
-8.59 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-(benzyl)-n-[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl]-1-methyl-imidazole-4-sulfonamide
- n-[2-[(4-cyanophenyl)-[(3-methyl-4-imidazolyl)methyl]amino]ethyl]-1-methyl-n-(phenylmethyl)-4-imidazolesulfonamide
- n-[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl]-1-methyl-n-(phenylmethyl)imidazole-4-sulfonamide
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InChIKey |
IDHGAQOVWWBGFK-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
S
O
N
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