ChemSpider 2D Image | 1-{4-[5-({[2-(Cyclopropylcarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furoyl]-1-piperazinyl}ethanone | C32H35N3O5

1-{4-[5-({[2-(Cyclopropylcarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furoyl]-1-piperazinyl}ethanone

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID22710475

More details:

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

1-{4-[5-({[2-(Cyclopropylcarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-2-furoyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[5-({[2-(Cyclopropylcarbonyl)-1-(3-méthylphényl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-2-furoyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
1-{4-[5-({[2-(Cyclopropylcarbonyl)-1-(3-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furoyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[4-[[5-[[[2-(cyclopropylcarbonyl)-1,2,3,4-tetrahydro-1-(3-methylphenyl)-7-isoquinolinyl]oxy]methyl]-2-furanyl]carbonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.21
ACD/KOC (pH 5.5): 2249.02
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.21
ACD/KOC (pH 7.4): 2249.03
Polar Surface Area: 83 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 423.2±3.0 cm3

Click to predict properties on the Chemicalize site


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