| Formula |
C36H38FN7O3 |
| IUPAC Name |
2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile |
| Molecular Mass |
635.730 g·mol−1 |
| Heat of Formation |
-175.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.70 ± 1.08 D |
| Volume |
755.23 Å 3 |
| Surface Area |
623.76 Å 2 |
| HOMO Energy |
-8.39 ± 0.55 eV |
| LUMO Energy |
-0.98 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
AGMLIXLHTZGRPZ-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 |
H
C
F
O
N
|
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