ChemSpider 2D Image | 2-Cyclohexyl-3-(4-methoxyphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone | C34H39N3O4

2-Cyclohexyl-3-(4-methoxyphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID13124074

More details:

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

1(2H)-Isoquinolinone, 2-cyclohexyl-3,4-dihydro-3-(4-methoxyphenyl)-4-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
2-Cyclohexyl-3-(4-methoxyphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
2-Cyclohexyl-3-(4-méthoxyphényl)-4-{[4-(4-méthoxyphényl)-1-pipérazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
2-Cyclohexyl-3-(4-methoxyphenyl)-4-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.2±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 158.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4315.22
ACD/KOC (pH 5.5): 13856.83
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4380.07
ACD/KOC (pH 7.4): 14065.05
Polar Surface Area: 62 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 456.2±3.0 cm3

Click to predict properties on the Chemicalize site


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