ChemSpider 2D Image | (2Z)-4,6-Dihydroxy-2-{[1-methyl-4-(4-methyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylene}-1-benzofuran-3(2H)-one | C22H22N4O4

(2Z)-4,6-Dihydroxy-2-{[1-methyl-4-(4-methyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylene}-1-benzofuran-3(2H)-one

  • Molecular FormulaC22H22N4O4
  • Average mass406.435 Da
  • Monoisotopic mass406.164093 Da
  • ChemSpider ID24670592
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2Z)-4,6-Dihydroxy-2-{[1-methyl-4-(4-methyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylen}-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-4,6-Dihydroxy-2-{[1-methyl-4-(4-methyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylene}-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-4,6-Dihydroxy-2-{[1-méthyl-4-(4-méthyl-1-pipérazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]méthylène}-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
(2z)-4,6-Dihydroxy-2-{[1-Methyl-4-(4-Methylpiperazin-1-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]methylidene}-1-Benzofuran-3(2h)-One
3(2H)-Benzofuranone, 4,6-dihydroxy-2-[[1-methyl-4-(4-methyl-1-piperazinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylene]-, (2Z)- [ACD/Index Name]
4,6-dihydroxy-2-((1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)benzofuran-3(2H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 694.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 373.8±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 91 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 277.6±7.0 cm3

Click to predict properties on the Chemicalize site






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