ChemSpider 2D Image | Methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylyl}carbonyl)amino]-4-fluorobenzoate | C28H22F2N4O4

Methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylyl}carbonyl)amino]-4-fluorobenzoate

  • Molecular FormulaC28H22F2N4O4
  • Average mass516.495 Da
  • Monoisotopic mass516.160889 Da
  • ChemSpider ID35035272

More details:

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

3-[({2'-(Aminométhyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphénylyl}carbonyl)amino]-4-fluorobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2'-(aminomethyl)-5'-[[(3-fluoro-4-pyridinyl)amino]carbonyl][1,1'-biphenyl]-3-yl]carbonyl]amino]-4-fluoro-, methyl ester [ACD/Index Name]
Methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylyl}carbonyl)amino]-4-fluorobenzoate [ACD/IUPAC Name]
Methyl 3-[({2'-(Aminomethyl)-5'-[(3-Fluoropyridin-4-Yl)carbamoyl]biphenyl-3-Yl}carbonyl)amino]-4-Fluorobenzoate
Methyl-3-[({2'-(aminomethyl)-5'-[(3-fluor-4-pyridinyl)carbamoyl]-3-biphenylyl}carbonyl)amino]-4-fluorbenzoat [German] [ACD/IUPAC Name]
3SG

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 7.70
ACD/KOC (pH 7.4): 75.41
Polar Surface Area: 123 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 372.0±3.0 cm3

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