Formula |
C24H29N5O4S |
IUPAC Name |
6,7-dimethoxy-4-[(2s)-8-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1h-isoquinolin-2-yl]quinazoline |
Molecular Mass |
483.583 g·mol−1 |
Heat of Formation |
-314.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.25 ± 1.08 D |
Volume |
555.62 Å 3 |
Surface Area |
395.37 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
-1.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 6,7-dimethoxy-4-[8-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1h-isoquinolin-2-yl]quinazoline
- 6,7-dimethoxy-4-[8-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-1h-isoquinolin-2-yl]quinazoline
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InChIKey |
XOFGGFSZAJCEEW-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
S
O
N
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