ChemSpider 2D Image | 2-(4-Methoxyphenyl)-N-{3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide | C32H36N4O3

2-(4-Methoxyphenyl)-N-{3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

  • Molecular FormulaC32H36N4O3
  • Average mass524.653 Da
  • Monoisotopic mass524.278748 Da
  • ChemSpider ID20344586

More details:

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

2-(4-Methoxyphenyl)-N-{3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
2-(4-Méthoxyphényl)-N-{3-[3-méthyl-4-(3-méthylphényl)-1-pipérazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2-(4-Methoxyphenyl)-N-{3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl}-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 1,2-dihydro-2-(4-methoxyphenyl)-N-[3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]propyl]-1-oxo- [ACD/Index Name]
2-(4-METHOXYPHENYL)-N-{3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]PROPYL}-1-OXOISOQUINOLINE-4-CARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 414.1±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 152.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 19.86
ACD/KOC (pH 5.5): 95.58
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 623.79
ACD/KOC (pH 7.4): 3001.29
Polar Surface Area: 65 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 441.4±3.0 cm3

Click to predict properties on the Chemicalize site


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