7-{3-[4-(4-Chlorobenzyl)-1-Piperazinyl]Propoxy}-3-(Hydroxymethyl)-4-Methyl-2H-Chromen-2-One

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Properties Simple | Detailed

Formula C25H29ClN2O4
IUPAC Name 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-(hydroxymethyl)-4-methyl-chromen-2-one
Molecular Mass 456.962 g·mol−1
Heat of Formation -485.5 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 538.88 Å 3
Surface Area 474.67 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(3-(4-((4-chlorophenyl)methyl)-1-piperazinyl)propoxy)-3-(hydroxymethyl)-4-methyl-
  • 3-hydroxymethyl-picumast
  • 7-[3-[4-(4-chlorobenzyl)piperazin-1-yl]propoxy]-4-methyl-3-methylol-coumarin
  • 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3-(hydroxymethyl)-4-methyl-2-chromenone
CAS Number(s)
  • 102402-47-1
InChIKey KSEGSVAXULZZCC-UHFFFAOYSA-N
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Elements H C N O Cl