Formula |
C30H25ClF2N6O |
IUPAC Name |
[4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone |
Molecular Mass |
559.009 g·mol−1 |
Heat of Formation |
5.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.69 ± 1.08 D |
Volume |
624.75 Å 3 |
Surface Area |
522.03 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
1.83 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methyl-1-piperazinyl)methanone
- [4-[[9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
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InChIKey |
SEYRFEUDBMZPCH-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
C
Cl
H
F
O
N
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