Ensaculin

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Properties Simple | Detailed

Formula C26H32N2O5
IUPAC Name 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-chromen-2-one
Molecular Mass 452.543 g·mol−1
Heat of Formation -588.6 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 549.76 Å 3
Surface Area 431.14 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 7-methoxy-6-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethylcoumarin.
  • 7-methoxy-6-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]-3,4-dimethyl-2-chromenone
  • 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-coumarin
  • 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one
CAS Number(s)
  • 155773-59-4
InChIKey FQELZLMTAPJJOL-UHFFFAOYSA-N
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