| Formula |
C23H31BrN4O3 |
| IUPAC Name |
5-bromo-6-isopropyl-2-[5-[2-(4-methylpiperazin-1-yl)acetyl]-2-propoxy-phenyl]pyrimidin-3-ium-5-id-4-one |
| Molecular Mass |
491.421 g·mol−1 |
| Heat of Formation |
-367.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.44 ± 1.08 D |
| Volume |
552.45 Å 3 |
| Surface Area |
417.09 Å 2 |
| HOMO Energy |
-8.82 ± 0.55 eV |
| LUMO Energy |
1.93 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
WTKMCYZVMOTXKM-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
C
Br
O
N
|
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