1-(2,6-Dichlorophenyl)-6-[(2,4-Difluorophenyl)Sulfanyl]-7-(1,2,3,6-Tetrahydro-4-Pyridinyl)-3,4-Dihydropyrido[3,2-D]Pyrimidin-2(1H)-One

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Formula C24H18Cl2F2N4OS
IUPAC Name 1-(2,6-dichlorophenyl)-6-(2,4-difluorophenyl)sulfanyl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydropyrido[3,2-d]pyrimidin-2-one
Molecular Mass 519.394 g·mol−1
Heat of Formation -204.1 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 550.56 Å 3
Surface Area 440.19 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)thio]-7-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydropyrido[6,5-e]pyrimidin-2-one
InChIKey PZUXNWPJBLCJKB-UHFFFAOYSA-N
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