Formula |
C27H27F3N4O3S |
IUPAC Name |
5-[6-[(1-methyl-4-piperidyl)oxy]-2h-benzimidazol-1-ium-2-ylium-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide |
Molecular Mass |
544.588 g·mol−1 |
Heat of Formation |
-766.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.30 ± 1.08 D |
Volume |
606.9 Å 3 |
Surface Area |
506.31 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
1.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[6-(1-methylpiperidin-4-yl)oxybenzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
- 5-[6-[(1-methyl-4-piperidinyl)oxy]-1-benzimidazolyl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]-2-thiophenecarboxamide
- 5-[6-[(1-methyl-4-piperidyl)oxy]benzimidazol-1-yl]-3-[(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
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InChIKey |
SWIVJTVGOIXUKC-MRXNPFEDSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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