| Formula |
C27H28N4O5S |
| IUPAC Name |
isopropyl 2-[3-[[(4-pyrazol-1-ium-2-id-1-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate |
| Molecular Mass |
520.600 g·mol−1 |
| Heat of Formation |
-372.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.39 ± 1.08 D |
| Volume |
598.96 Å 3 |
| Surface Area |
425.69 Å 2 |
| HOMO Energy |
-9.08 ± 0.55 eV |
| LUMO Energy |
1.90 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[3-[[(4-pyrazol-1-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid isopropyl ester
- 2-[3-[[[4-(1-pyrazolyl)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid isopropyl ester
- isopropyl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate
- propan-2-yl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate
- propan-2-yl 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate
|
| InChIKey |
NVPXUFQLKWKBHK-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
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