Formula |
C21H26N4O5S |
IUPAC Name |
n-[4-[(2s)-2-hydroxy-3-[2-[4-(4h-imidazol-3-ium-4-ylium-3-yl)phenoxy]ethylamino]propoxy]phenyl]methanesulfonamide |
Molecular Mass |
446.520 g·mol−1 |
Heat of Formation |
-485.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.80 ± 1.08 D |
Volume |
523.54 Å 3 |
Surface Area |
468.05 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-0.63 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4'-((2s)-2-hydroxy-3-((2-(p-imidazol-1-ylphenoxy)ethyl)amino)propoxy)methane-sulfonanilide.
- n-[4-[(2s)-2-hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide
- n-[4-[(2s)-2-hydroxy-3-[2-[4-(1-imidazolyl)phenoxy]ethylamino]propoxy]phenyl]methanesulfonamide
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CAS Number(s) |
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InChIKey |
QZWUQVSQIFFFKY-IBGZPJMESA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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