7-{3-[4-(4-Chlorobenzyl)-1-Piperazinyl]Propoxy}-4-Methyl-2-Oxo-2H-Chromene-3-Carboxylic Acid

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Formula C25H27ClN2O5
IUPAC Name 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxo-chromene-3-carboxylic acid
Molecular Mass 470.945 g·mol−1
Heat of Formation -648.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 538.24 Å 3
Surface Area 477.88 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-3-carboxylic acid, 7-(3-(4-((4-chlorophenyl)methyl)-1-piperazinyl)propoxy)-4-methyl-2-oxo-
  • 3-carboxylic acid-picumast
  • 7-[3-[4-(4-chlorobenzyl)piperazin-1-yl]propoxy]-2-keto-4-methyl-chromene-3-carboxylic acid
  • 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-4-methyl-2-oxo-3-chromenecarboxylic acid
  • 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxochromene-3-carboxylic acid
CAS Number(s)
  • 102392-27-8
InChIKey XYJFEDCQMSDMKX-UHFFFAOYSA-N
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Elements H C N O Cl