| Formula |
C21H20BrN5O3S |
| IUPAC Name |
3-[3-(6-amino-5-bromo-pyrimidin-4-yl)sulfanylpropanoylamino]-4-methoxy-n-phenyl-benzamide |
| Molecular Mass |
502.384 g·mol−1 |
| Heat of Formation |
-149.9 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.01 ± 1.08 D |
| Volume |
510.13 Å 3 |
| Surface Area |
465.64 Å 2 |
| HOMO Energy |
-8.71 ± 0.55 eV |
| LUMO Energy |
-1.05 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SSEJHILVXYLIBN-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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