ChemSpider 2D Image | (4Z)-2-(4-Chlorophenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione | C25H28ClN3O2

(4Z)-2-(4-Chlorophenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC25H28ClN3O2
  • Average mass437.962 Da
  • Monoisotopic mass437.187012 Da
  • ChemSpider ID23015190

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-2-(4-Chlorophényl)-4-[({[1-(diméthylamino)cyclohexyl]méthyl}amino)méthylène]-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
(4Z)-2-(4-Chlorophenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylene]-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC Name]
(4Z)-2-(4-Chlorphenyl)-4-[({[1-(dimethylamino)cyclohexyl]methyl}amino)methylen]-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
1,3(2H,4H)-Isoquinolinedione, 2-(4-chlorophenyl)-4-[[[[1-(dimethylamino)cyclohexyl]methyl]amino]methylene]-, (4Z)- [ACD/Index Name]
(4Z)-2-(4-chlorophenyl)-4-[[[1-(dimethylamino)cyclohexyl]methylamino]methylidene]isoquinoline-1,3-dione
4-[({[(dimethylamino)cyclohexyl]methyl}amino)methylene]-2-(4-chlorophenyl)-2-hydroisoquinoline-1,3-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 7.53
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 4.40
ACD/KOC (pH 7.4): 16.65
Polar Surface Area: 53 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 342.5±5.0 cm3

Click to predict properties on the Chemicalize site


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