Formula |
C27H20ClFN4O4 |
IUPAC Name |
4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoic acid |
Molecular Mass |
518.924 g·mol−1 |
Heat of Formation |
-369.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.14 ± 1.08 D |
Volume |
570.22 Å 3 |
Surface Area |
467.67 Å 2 |
HOMO Energy |
-8.95 ± 0.55 eV |
LUMO Energy |
1.78 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 4-[[9-chloro-7-(2-fluoro-6-methoxy-phenyl)-5h-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxy-benzoic acid
|
InChIKey |
ZLHFILGSQDJULK-UHFFFAOYSA-N |
QR Code |
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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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