ChemSpider 2D Image | 3-Benzyl-4-({[6-(cyclohexylmethyl)-2-pyridinyl]carbonyl}amino)benzoic acid | C27H28N2O3

3-Benzyl-4-({[6-(cyclohexylmethyl)-2-pyridinyl]carbonyl}amino)benzoic acid

  • Molecular FormulaC27H28N2O3
  • Average mass428.523 Da
  • Monoisotopic mass428.209991 Da
  • ChemSpider ID24604688

More details:






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

3-Benzyl-4-({[6-(cyclohexylmethyl)-2-pyridinyl]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-Benzyl-4-({[6-(cyclohexylmethyl)-2-pyridinyl]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
3-Benzyl-4-({[6-(Cyclohexylmethyl)pyridin-2-Yl]carbonyl}amino)benzoic Acid
Acide 3-benzyl-4-({[6-(cyclohexylméthyl)-2-pyridinyl]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[6-(cyclohexylmethyl)-2-pyridinyl]carbonyl]amino]-3-(phenylmethyl)- [ACD/Index Name]
3-Benzyl-4-(6-(cyclohexylmethyl)picolinamido)benzoic acid
3-Benzyl-4-(6-(cyclohexylmethyl)picolinamido)benzoic acid, 2
NJQ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 2206.99
ACD/KOC (pH 5.5): 3931.47
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 53.96
ACD/KOC (pH 7.4): 96.12
Polar Surface Area: 79 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 348.8±3.0 cm3

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