3-(2-(4-(4-Fluorobenzoyl)-1-Piperidinyl)Ethyl)-2,3-Dihydro-2-Thioxo-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C22H22FN3O2S
IUPAC Name 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-thioxo-quinazolin-4-one
Molecular Mass 411.492 g·mol−1
Heat of Formation -241.3 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 473.92 Å 3
Surface Area 407.28 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-(4-(4-fluorbenzoyl)piperidino)ethyl)-1,2,3,4-tetrahydro-2-thioxo-4-chinazolinon
  • 3-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2-thio-2,4(1h,3h)-quinazolinedione
  • 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-thioxo-1h-quinazolin-4-one
  • 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1h-quinazolin-4-one
  • 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1h-quinazolin-4-one
  • 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-thioxo-1h-quinazolin-4-one
  • 4(1h)-quinazolinone, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-2-thioxo-
  • altanserina [spanish]
  • altanserinum [latin]
  • pdsp1_001703
  • pdsp2_001686
  • r 53200
  • tocris-1809
CAS Number(s)
  • 76330-71-7
InChIKey SMYALUSCZJXWHG-UHFFFAOYSA-N
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