3-{2-[4-(2-Methoxyphenyl)-1-Piperazinyl]Ethyl}-5-(3-Methylphenyl)Thieno[2,3-D]Pyrimidine-2,4(1H,3H)-Dione

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Properties Simple | Detailed

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
Synonyms
  • 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
InChIKey PANBMHHKBRMYAL-UHFFFAOYSA-N
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