Formula |
C21H24N2O5 |
IUPAC Name |
(2s)-3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid |
Molecular Mass |
384.426 g·mol−1 |
Heat of Formation |
-595.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.40 ± 1.08 D |
Volume |
461.6 Å 3 |
Surface Area |
410.57 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
2.71 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-3-[4-[2-(1,3-benzoxazol-2-yl-methyl-amino)ethoxy]phenyl]-2-ethoxy-propanoic acid
- (2s)-3-[4-[2-(1,3-benzoxazol-2-yl-methyl-amino)ethoxy]phenyl]-2-ethoxy-propionic acid
- (2s)-3-[4-[2-(1,3-benzoxazol-2-yl-methylamino)ethoxy]phenyl]-2-ethoxypropanoic acid
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InChIKey |
FJENKDXEWRLENI-IBGZPJMESA-N |
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Links |
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DOI |
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Elements |
H
C
O
N
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