ChemSpider 2D Image | 6-(Aminomethyl)-N~3~-(3-fluoro-4-pyridinyl)-N~3~'-{4-[(5-methyl-2-oxotetrahydro-3-furanyl)sulfanyl]phenyl}-3,3'-biphenyldicarboxamide (non-preferred name) | C31H27FN4O4S

6-(Aminomethyl)-N3-(3-fluoro-4-pyridinyl)-N3'-{4-[(5-methyl-2-oxotetrahydro-3-furanyl)sulfanyl]phenyl}-3,3'-biphenyldicarboxamide (non-preferred name)

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID129124081

More details:

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

6-(Aminomethyl)-N3-(3-fluor-4-pyridinyl)-N3'-{4-[(5-methyl-2-oxotetrahydro-3-furanyl)sulfanyl]phenyl}-3,3'-biphenyldicarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
6-(Aminomethyl)-N3-(3-fluoro-4-pyridinyl)-N3'-{4-[(5-methyl-2-oxotetrahydro-3-furanyl)sulfanyl]phenyl}-3,3'-biphenyldicarboxamide (non-preferred name) [ACD/IUPAC Name]
6-(Aminométhyl)-N3-(3-fluoro-4-pyridinyl)-N3'-{4-[(5-méthyl-2-oxotétrahydro-3-furanyl)sulfanyl]phényl}-3,3'-biphényldicarboxamide (non-preferred name) [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: 710.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 52.42
Polar Surface Area: 149 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

Click to predict properties on the Chemicalize site


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