ChemSpider 2D Image | 1-(1-{3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-1,3-dimethylurea | C35H42Cl2N4O2

1-(1-{3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-1,3-dimethylurea

  • Molecular FormulaC35H42Cl2N4O2
  • Average mass621.640 Da
  • Monoisotopic mass620.268494 Da
  • ChemSpider ID10029234

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(1-{3-[(3R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-1,3-dimethylurea [ACD/IUPAC Name]
1-(1-{3-[(3R)-1-Benzoyl-3-(3,4-dichlorophényl)-3-pipéridinyl]propyl}-4-phényl-4-pipéridinyl)-1,3-diméthylurée [French] [ACD/IUPAC Name]
1-(1-{3-[(3R)-1-Benzoyl-3-(3,4-dichlorphenyl)-3-piperidinyl]propyl}-4-phenyl-4-piperidinyl)-1,3-dimethylharnstoff [German] [ACD/IUPAC Name]
Urea, N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N,N'-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 176.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 37.28
ACD/KOC (pH 5.5): 76.36
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 1520.93
ACD/KOC (pH 7.4): 3115.77
Polar Surface Area: 56 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 489.8±5.0 cm3

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