Benzyl 6-Benzyl-5,7-Dioxo-6,7-Dihydro-5H-[1,3]Thiazolo[3,2-C]Pyrimidine-2-Carboxylate

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Formula C21H16N2O4S++
IUPAC Name benzyl 6-benzyl-5,7-dioxo-thiazolo[3,2-c]pyrimidine-1,4-diium-2-carboxylate
Molecular Mass 392.428 g·mol−1
Heat of Formation -338.2 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 439.56 Å 3
Surface Area 391.6 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dioxo-6-(phenylmethyl)-2-thiazolo[2,3-f]pyrimidinecarboxylic acid phenylmethyl ester
  • 6-(benzyl)-5,7-diketo-thiazolo[3,2-c]pyrimidine-2-carboxylic acid benzyl ester
  • phenylmethyl 5,7-dioxo-6-(phenylmethyl)thiazolo[2,3-f]pyrimidine-2-carboxylate
InChIKey PLBINCOCFGQAJM-UHFFFAOYSA-N
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