ChemSpider 2D Image | N-{5-Chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-7-ethoxy-2-oxo-2H-chromene-3-carboxamide | C27H20Cl2N2O4

N-{5-Chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-7-ethoxy-2-oxo-2H-chromene-3-carboxamide

  • Molecular FormulaC27H20Cl2N2O4
  • Average mass507.365 Da
  • Monoisotopic mass506.080017 Da
  • ChemSpider ID4427656

More details:

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

2H-1-Benzopyran-3-carboxamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-7-ethoxy-2-oxo- [ACD/Index Name]
N-{5-Chlor-4-[(4-chlorphenyl)(cyan)methyl]-2-methylphenyl}-7-ethoxy-2-oxo-2H-chromen-3-carboxamid [German] [ACD/IUPAC Name]
N-{5-Chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-7-ethoxy-2-oxo-2H-chromene-3-carboxamide [ACD/IUPAC Name]
N-{5-Chloro-4-[(4-chlorophényl)(cyano)méthyl]-2-méthylphényl}-7-éthoxy-2-oxo-2H-chromène-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18402.48
ACD/KOC (pH 5.5): 39299.29
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18395.33
ACD/KOC (pH 7.4): 39284.02
Polar Surface Area: 88 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 364.4±3.0 cm3

Click to predict properties on the Chemicalize site


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