Formula |
C26H28N4O3S |
IUPAC Name |
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylbenzene-4,5-diid-1-yl)thieno[2,3-d]pyrimidine-1,7-diium-2,4-dione |
Molecular Mass |
476.591 g·mol−1 |
Heat of Formation |
-163.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.69 ± 1.08 D |
Volume |
562.53 Å 3 |
Surface Area |
475.44 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
1.98 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-5-(3-methylphenyl)-1h-thieno[3,2-e]pyrimidine-2,4-dione
- 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1h-thieno[3,2-e]pyrimidine-2,4-dione
- 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1h-thieno[3,2-e]pyrimidine-2,4-quinone
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InChIKey |
PANBMHHKBRMYAL-UHFFFAOYSA-N |
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Links |
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Elements |
H
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