ChemSpider 2D Image | 2',3,5'-Trifluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide | C29H21F3N4O2

2',3,5'-Trifluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide

  • Molecular FormulaC29H21F3N4O2
  • Average mass514.498 Da
  • Monoisotopic mass514.161682 Da
  • ChemSpider ID34251371

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, N-4-pyridinyl-α-[[(2',3,5'-trifluoro[1,1'-biphenyl]-4-yl)carbonyl]amino]-, (αR)- [ACD/Index Name]
2',3,5'-Trifluor-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
2',3,5'-Trifluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide [ACD/IUPAC Name]
2',3,5'-Trifluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4-[2,5-Bis(Fluoranyl)phenyl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
TU1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 780.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.0±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 30.25
ACD/KOC (pH 5.5): 116.57
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 23.53
ACD/KOC (pH 7.4): 90.69
Polar Surface Area: 87 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

Click to predict properties on the Chemicalize site


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