| Formula |
C25H25BrN2O7S2 |
| IUPAC Name |
5-[3-[(1-benzylsulfonyl-4-piperidyl)amino]phenyl]-4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid |
| Molecular Mass |
609.509 g·mol−1 |
| Heat of Formation |
-913.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.09 ± 1.08 D |
| Volume |
620.03 Å 3 |
| Surface Area |
527.53 Å 2 |
| HOMO Energy |
-8.71 ± 0.55 eV |
| LUMO Energy |
-1.67 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-bromo-3-(carboxymethyloxy)-5-[3-[[1-(phenylmethylsulfonyl)-4-piperidinyl]amino]phenyl]-2-thiophenecarboxylic acid
- 4-bromo-3-(carboxymethyloxy)-5-[3-[[1-(phenylmethylsulfonyl)-4-piperidyl]amino]phenyl]thiophene-2-carboxylic acid
- 4-bromo-3-(carboxymethyloxy)-5-[3-[[1-(phenylmethylsulfonyl)piperidin-4-yl]amino]phenyl]thiophene-2-carboxylic acid
- 5-[3-[[1-(benzylsulfonyl)-4-piperidyl]amino]phenyl]-4-bromo-3-(carboxymethyloxy)-2-thenoic acid
|
| InChIKey |
FEPAAIQAIYOLJA-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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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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