ChemSpider 2D Image | (2Z)-2-(1H-Indazol-3-ylmethylene)-6-methoxy-7-(1-piperazinylmethyl)-1-benzofuran-3(2H)-one | C22H22N4O3

(2Z)-2-(1H-Indazol-3-ylmethylene)-6-methoxy-7-(1-piperazinylmethyl)-1-benzofuran-3(2H)-one

  • Molecular FormulaC22H22N4O3
  • Average mass390.435 Da
  • Monoisotopic mass390.169189 Da
  • ChemSpider ID28648744
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-2-(1H-Indazol-3-ylmethylen)-6-methoxy-7-(1-piperazinylmethyl)-1-benzofuran-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-2-(1H-Indazol-3-ylmethylene)-6-methoxy-7-(1-piperazinylmethyl)-1-benzofuran-3(2H)-one [ACD/IUPAC Name]
(2Z)-2-(1H-Indazol-3-ylméthylène)-6-méthoxy-7-(1-pipérazinylméthyl)-1-benzofuran-3(2H)-one [French] [ACD/IUPAC Name]
(2z)-2-(1h-Indazol-3-Ylmethylidene)-6-Methoxy-7-(Piperazin-1-Ylmethyl)-1-Benzofuran-3(2h)-One
3(2H)-Benzofuranone, 2-(1H-indazol-3-ylmethylene)-6-methoxy-7-(1-piperazinylmethyl)-, (2Z)- [ACD/Index Name]
1346150-35-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.3±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 111.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.68
Polar Surface Area: 79 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

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