ChemSpider 2D Image | 1-[2-(3'-Cyano-4-biphenylyl)-2-(1-methyl-4-piperidinyl)ethyl]-3-(3,5-dichlorophenyl)urea | C28H28Cl2N4O

1-[2-(3'-Cyano-4-biphenylyl)-2-(1-methyl-4-piperidinyl)ethyl]-3-(3,5-dichlorophenyl)urea

  • Molecular FormulaC28H28Cl2N4O
  • Average mass507.454 Da
  • Monoisotopic mass506.164032 Da
  • ChemSpider ID8339871

More details:






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

1-[2-(3'-Cyan-4-biphenylyl)-2-(1-methyl-4-piperidinyl)ethyl]-3-(3,5-dichlorphenyl)harnstoff [German] [ACD/IUPAC Name]
1-[2-(3'-Cyano-4-biphenylyl)-2-(1-methyl-4-piperidinyl)ethyl]-3-(3,5-dichlorophenyl)urea [ACD/IUPAC Name]
1-[2-(3'-Cyano-4-biphénylyl)-2-(1-méthyl-4-pipéridinyl)éthyl]-3-(3,5-dichlorophényl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-(3'-cyano[1,1'-biphenyl]-4-yl)-2-(1-methyl-4-piperidinyl)ethyl]-N'-(3,5-dichlorophenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 640.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 75.54
ACD/KOC (pH 5.5): 107.48
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 1198.66
ACD/KOC (pH 7.4): 1705.55
Polar Surface Area: 68 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

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