Formula |
C29H27ClFN7O2 |
IUPAC Name |
8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-1-ium-2-ide-3-carboxamide |
Molecular Mass |
560.022 g·mol−1 |
Heat of Formation |
1.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.35 ± 1.08 D |
Volume |
639.29 Å 3 |
Surface Area |
525.14 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]carbonylamino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
- 8-[[[5-chloro-2-(4-methyl-1-piperazinyl)-4-pyridyl]-oxomethyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
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InChIKey |
ZLEZHGHFWIHCGU-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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