Formula |
C20H15ClFN5O5S2 |
IUPAC Name |
1-[(5-chloro-2-thienyl)sulfonyl]-3-[4-[6-fluoro-7-(methylamino)-2,4-dioxo-1h-quinazolin-3-yl]phenyl]urea |
Molecular Mass |
523.945 g·mol−1 |
Heat of Formation |
-715.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.88 ± 1.08 D |
Volume |
524.5 Å 3 |
Surface Area |
465.68 Å 2 |
HOMO Energy |
-8.75 ± 0.55 eV |
LUMO Energy |
-1.37 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[(5-chloro-2-thienyl)sulfonyl]-1-[4-(6-fluoro-2,4-diketo-7-methylamino-1h-quinazolin-3-yl)phenyl]urea
- 3-[(5-chloro-2-thienyl)sulfonyl]-1-[4-(6-fluoro-7-methylamino-2,4-dioxo-1h-quinazolin-3-yl)phenyl]urea
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InChIKey |
LGSDFTPAICUONK-UHFFFAOYSA-N |
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Elements |
C
F
H
Cl
O
N
S
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