3-Allyl-2-(Butylsulfanyl)-3H-Spiro[Benzo[H]Quinazoline-5,1'-Cyclohexan]-4(6H)-One

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Formula C24H30N2OS
IUPAC Name 3-allyl-2-butylsulfanyl-spiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Molecular Mass 394.573 g·mol−1
Heat of Formation -71.9 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 491.41 Å 3
Surface Area 390.62 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butylsulfanyl-3-prop-2-enyl-spiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
  • 2-butylsulfanyl-3-prop-2-enylspiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
  • 3-allyl-2-(butylthio)-4-spiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]one
  • 3-allyl-2-(butylthio)spiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
  • 3-allyl-2-butylsulfanyl-spiro[6h-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
  • ak-968/11841668
  • bas 00818528
InChIKey QPMLYPXHSWZKFJ-UHFFFAOYSA-N
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