ChemSpider 2D Image | Propyl 4-({2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl}amino)benzoate | C22H23N3O5

Propyl 4-({2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl}amino)benzoate

  • Molecular FormulaC22H23N3O5
  • Average mass409.435 Da
  • Monoisotopic mass409.163757 Da
  • ChemSpider ID24541135

More details:

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

4-({2-[(4,6-Diméthoxy-2-pyrimidinyl)oxy]phényl}amino)benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]amino]-, propyl ester [ACD/Index Name]
Propyl 4-({2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl}amino)benzoate [ACD/IUPAC Name]
Propyl-4-({2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl}amino)benzoat [German] [ACD/IUPAC Name]
propyl 4-{[2-(4,6-dimethoxypyrimidin-2-yloxy)phenyl]amino}benzoate
pyribambenz propyl

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 942.45
ACD/KOC (pH 5.5): 4683.54
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 942.46
ACD/KOC (pH 7.4): 4683.56
Polar Surface Area: 92 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

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