5-(2-Chloro-4-Fluorophenyl)-1-(2,6-Dichlorophenyl)-7-(1-Isopropyl-4-Piperidinyl)-3,4-Dihydro-2(1H)-Quinazolinone

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Formula C28H27Cl3FN3O
IUPAC Name 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropyl-4-piperidyl)-3,4-dihydroquinazolin-2-one
Molecular Mass 546.891 g·mol−1
Heat of Formation -275.6 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 609.62 Å 3
Surface Area 480.95 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-chloro-4-fluoro-phenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
  • 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-isopropyl-4-piperidinyl)-3,4-dihydroquinazolin-2-one
  • 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
InChIKey KXNNHYBPDFMKQK-UHFFFAOYSA-N
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Elements C Cl H F O N