Ethyl 5-{[(2R)-1-Ethoxy-1,3-Dioxo-2-Butanyl]Sulfanyl}-1,2-Dihydro[1,2,3]Triazolo[1,5-A]Quinazoline-3-Carboxylate

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Formula C18H25N4O5S
IUPAC Name ethyl 5-{[(2r)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Molecular Mass 413.512 g·mol−1
Heat of Formation 87.0 ± 16.7 kJ·mol−1
Dipole Moment 9.60 ± 1.08 D
Volume 492.54 Å 3
Surface Area 439.2 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
InChIKey JTPUHTLSVQEMRB-CQSZACIVSA-N
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