| Formula |
C25H25BrN6O5S2 |
| IUPAC Name |
2-[5-[3-[(1-benzylsulfonyl-4-piperidyl)amino]phenyl]-4-bromo-2-(3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)thiophen-1-ium-3-ylium-3-yl]oxyacetic acid |
| Molecular Mass |
633.537 g·mol−1 |
| Heat of Formation |
-235.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.87 ± 1.08 D |
| Volume |
637.2 Å 3 |
| Surface Area |
524.82 Å 2 |
| HOMO Energy |
-8.54 ± 0.55 eV |
| LUMO Energy |
-1.43 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-bromo-5-[3-[[1-(phenylmethylsulfonyl)piperidin-4-yl]amino]phenyl]-2-(2h-1,2,3,4-tetrazol-5-yl)thiophen-3-yl]oxyethanoic acid
- 2-[4-bromo-5-[3-[[1-(phenylmethylsulfonyl)piperidin-4-yl]amino]phenyl]-2-(2h-tetrazol-5-yl)thiophen-3-yl]oxyacetic acid
- 2-[[4-bromo-5-[3-[[1-(phenylmethylsulfonyl)-4-piperidinyl]amino]phenyl]-2-(2h-tetrazol-5-yl)-3-thienyl]oxy]acetic acid
- 2-[[4-bromo-5-[3-[[1-(phenylmethylsulfonyl)-4-piperidyl]amino]phenyl]-2-(2h-tetrazol-5-yl)-3-thienyl]oxy]acetic acid
- 2-[[5-[3-[[1-(benzylsulfonyl)-4-piperidyl]amino]phenyl]-4-bromo-2-(2h-tetrazol-5-yl)-3-thienyl]oxy]acetic acid
|
| InChIKey |
XUNHAAXAXQCMHA-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
H
O
N
S
Br
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