ChemSpider 2D Image | 4-{[6-(1-Azepanyl)-2-(4-chlorophenyl)-4-pyrimidinyl]amino}-2,6-dichlorophenol | C22H21Cl3N4O

4-{[6-(1-Azepanyl)-2-(4-chlorophenyl)-4-pyrimidinyl]amino}-2,6-dichlorophenol

  • Molecular FormulaC22H21Cl3N4O
  • Average mass463.787 Da
  • Monoisotopic mass462.078094 Da
  • ChemSpider ID67243080

More details:

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

4-{[6-(1-Azepanyl)-2-(4-chlorophenyl)-4-pyrimidinyl]amino}-2,6-dichlorophenol [ACD/IUPAC Name]
4-{[6-(1-Azépanyl)-2-(4-chlorophényl)-4-pyrimidinyl]amino}-2,6-dichlorophénol [French] [ACD/IUPAC Name]
4-{[6-(1-Azepanyl)-2-(4-chlorphenyl)-4-pyrimidinyl]amino}-2,6-dichlorphenol [German] [ACD/IUPAC Name]
Phenol, 2,6-dichloro-4-[[2-(4-chlorophenyl)-6-(hexahydro-1H-azepin-1-yl)-4-pyrimidinyl]amino]- [ACD/Index 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: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 6587.63
ACD/KOC (pH 5.5): 10694.43
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 7322.64
ACD/KOC (pH 7.4): 11887.65
Polar Surface Area: 61 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 331.5±3.0 cm3

Click to predict properties on the Chemicalize site


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