| Formula |
C22H14F3N5O4S |
| IUPAC Name |
1-[(2-amino-4-pyridyl)methyl]-3-(2,4-dioxo-1h-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid |
| Molecular Mass |
501.438 g·mol−1 |
| Heat of Formation |
-901.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.64 ± 1.08 D |
| Volume |
517.33 Å 3 |
| Surface Area |
422.47 Å 2 |
| HOMO Energy |
-8.98 ± 0.55 eV |
| LUMO Energy |
-1.27 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DKKCMDSCGHLOLY-UHFFFAOYSA-P |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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