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

1-{[4-(3'-Cyano-4-biphenylyl)-1-methyl-4-piperidinyl]methyl}-3-(3,5-dichlorophenyl)-1-methylurea

  • Molecular FormulaC28H28Cl2N4O
  • Average mass507.454 Da
  • Monoisotopic mass506.164032 Da
  • ChemSpider ID8317633

More details:






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

1-{[4-(3'-Cyan-4-biphenylyl)-1-methyl-4-piperidinyl]methyl}-3-(3,5-dichlorphenyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
1-{[4-(3'-Cyano-4-biphenylyl)-1-methyl-4-piperidinyl]methyl}-3-(3,5-dichlorophenyl)-1-methylurea [ACD/IUPAC Name]
1-{[4-(3'-Cyano-4-biphénylyl)-1-méthyl-4-pipéridinyl]méthyl}-3-(3,5-dichlorophényl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N-[[4-(3'-cyano[1,1'-biphenyl]-4-yl)-1-methyl-4-piperidinyl]methyl]-N'-(3,5-dichlorophenyl)-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 137.31
ACD/KOC (pH 5.5): 213.18
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 6550.98
ACD/KOC (pH 7.4): 10170.71
Polar Surface Area: 59 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

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