7-({4-[Bis(4-Fluorophenyl)Methyl]-1-Piperazinyl}Methyl)-2-[(2-Hydroxyethyl)Amino]-4-Isopropyl-2,4,6-Cycloheptatrien-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C30H35F2N3O2
IUPAC Name 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-isopropyl-cyclohepta-2,4,6-trien-1-one
Molecular Mass 507.615 g·mol−1
Heat of Formation -376.6 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 634.64 Å 3
Surface Area 504.03 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 7-((4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)methyl)-2-((2-hydroxyethyl)amino)-4-(1-methylethyl)-
  • 7-((4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)methyl)-2-((2-hydroxyethyl)amino)-4-(1-methylethylethyl)-2,4,6-cycloheptatrien-1-one
  • 7-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-(2-hydroxyethylamino)-4-isopropyl-1-cyclohepta-2,4,6-trienone
  • 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 7-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-hydroxyethylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • u 92032
  • u-92032
CAS Number(s)
  • 142223-92-5
InChIKey UVPCKMJVJLKETQ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F