| Formula |
C25H24N2O7S3 |
| IUPAC Name |
2-[[6-[(1-benzylsulfonyl-4-piperidyl)amino]-2-carboxy-7,8-dihydrothieno[3,2-b]benzothiophen-8-id-3-yl]oxy]acetate |
| Molecular Mass |
560.662 g·mol−1 |
| Heat of Formation |
-898.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.30 ± 1.08 D |
| Volume |
599.22 Å 3 |
| Surface Area |
509.42 Å 2 |
| HOMO Energy |
-8.35 ± 0.55 eV |
| LUMO Energy |
1.54 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-(carboxymethyloxy)-6-[[1-(phenylmethylsulfonyl)-4-piperidinyl]amino]-2-thieno[4,5-b]benzothiophenecarboxylic acid
- 3-(carboxymethyloxy)-6-[[1-(phenylmethylsulfonyl)-4-piperidyl]amino]thieno[4,5-b]benzothiophene-2-carboxylic acid
- 3-(carboxymethyloxy)-6-[[1-(phenylmethylsulfonyl)piperidin-4-yl]amino]thieno[4,5-b][1]benzothiole-2-carboxylic acid
- 6-[[1-(benzylsulfonyl)-4-piperidyl]amino]-3-(carboxymethyloxy)thieno[4,5-b]benzothiophene-2-carboxylic acid
- 6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
|
| InChIKey |
UEELPALQXUYKFT-UHFFFAOYSA-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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