ChemSpider 2D Image | 6-(3-Aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one | C25H22N4O2

6-(3-Aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one

  • Molecular FormulaC25H22N4O2
  • Average mass410.468 Da
  • Monoisotopic mass410.174286 Da
  • ChemSpider ID22377593

More details:

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

6-(3-Aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isochinolin-1(2H)-on [German] [ACD/IUPAC Name]
6-(3-Aminopropyl)-4-(3-hydroxyphényl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinoléin-1(2H)-one [French] [ACD/IUPAC Name]
6-(3-Aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one [ACD/IUPAC Name]
Benz[h]isoquinolin-1(2H)-one, 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)- [ACD/Index Name]
CHEMBL249441
M54

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 808.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 443.0±34.3 °C
Index of Refraction: 1.715
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 104 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 306.6±3.0 cm3

Click to predict properties on the Chemicalize site


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