ChemSpider 2D Image | Propyl 2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylcarboxylate | C23H22FN3O3

Propyl 2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylcarboxylate

  • Molecular FormulaC23H22FN3O3
  • Average mass407.438 Da
  • Monoisotopic mass407.164520 Da
  • ChemSpider ID30840182

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2'-(aminomethyl)-5'-[[(3-fluoro-4-pyridinyl)amino]carbonyl]-, propyl ester [ACD/Index Name]
2'-(Aminométhyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphénylcarboxylate de propyle [French] [ACD/IUPAC Name]
Propyl 2'-(aminomethyl)-5'-[(3-fluoro-4-pyridinyl)carbamoyl]-3-biphenylcarboxylate [ACD/IUPAC Name]
Propyl-2'-(aminomethyl)-5'-[(3-fluor-4-pyridinyl)carbamoyl]-3-biphenylcarboxylat [German] [ACD/IUPAC Name]
1333400-14-8 [RN]
Propyl 2'-(aminomethyl)-5'-((3-fluoropyridin-4-yl)carbamoyl)-[1,1'-biphenyl]-3-carboxylate
Sovesudil

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

Density: 1.3±0.1 g/cm3
Boiling Point: 545.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.0±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 113.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 6.38
ACD/KOC (pH 7.4): 66.50
Polar Surface Area: 94 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

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