1-[3-(4-{[4-(2-Methoxyethyl)-1-Piperazinyl]Methyl}Phenyl)-4-Oxo-1,4-Dihydroindeno[1,2-C]Pyrazol-5-Yl]-3-(4-Morpholinyl)Urea

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Properties Simple | Detailed

Formula C29H35N7O4
IUPAC Name 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-indeno[1,2-c]pyrazol-1-ium-2-id-5-yl]-3-morpholino-urea
Molecular Mass 545.633 g·mol−1
Heat of Formation -33.7 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 639.15 Å 3
Surface Area 561.43 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[3-[4-[[4-(2-methoxyethyl)-1-piperazinyl]methyl]phenyl]-4-oxo-1h-indeno[2,1-d]pyrazol-5-yl]-3-morpholinourea
  • 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1h-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-yl-urea
  • 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1h-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
  • 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1h-indeno[2,1-d]pyrazol-5-yl]-3-morpholino-urea
  • 1-[4-keto-3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-1h-indeno[2,1-d]pyrazol-5-yl]-3-morpholino-urea
InChIKey XLSYZSRXVVCHLS-UHFFFAOYSA-N
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