ChemSpider 2D Image | 6-(Aminomethyl)-N~3~-(3-fluoro-4-pyridinyl)-N~3~'-(4-{[(2-oxotetrahydro-3-furanyl)methyl]sulfanyl}phenyl)-3,3'-biphenyldicarboxamide | C31H27FN4O4S

6-(Aminomethyl)-N3-(3-fluoro-4-pyridinyl)-N3'-(4-{[(2-oxotetrahydro-3-furanyl)methyl]sulfanyl}phenyl)-3,3'-biphenyldicarboxamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID129124074

More details:

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

[1,1'-Biphenyl]-3,3'-dicarboxamide, 6-(aminomethyl)-N3-(3-fluoro-4-pyridinyl)-N3'-[4-[[(tetrahydro-2-oxo-3-furanyl)methyl]thio]phenyl]- [ACD/Index Name]
6-(Aminomethyl)-N3-(3-fluor-4-pyridinyl)-N3'-(4-{[(2-oxotetrahydro-3-furanyl)methyl]sulfanyl}phenyl)-3,3'-biphenyldicarboxamid [German] [ACD/IUPAC Name]
6-(Aminomethyl)-N3-(3-fluoro-4-pyridinyl)-N3'-(4-{[(2-oxotetrahydro-3-furanyl)methyl]sulfanyl}phenyl)-3,3'-biphenyldicarboxamide [ACD/IUPAC Name]
6-(Aminométhyl)-N3-(3-fluoro-4-pyridinyl)-N3'-(4-{[(2-oxotétrahydro-3-furanyl)méthyl]sulfanyl}phényl)-3,3'-biphényldicarboxamide [French] [ACD/IUPAC 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: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 46.27
Polar Surface Area: 149 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 404.5±5.0 cm3

Click to predict properties on the Chemicalize site


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