ChemSpider 2D Image | 3,3'-Difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide | C29H22F2N4O2

3,3'-Difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide

  • Molecular FormulaC29H22F2N4O2
  • Average mass496.507 Da
  • Monoisotopic mass496.171082 Da
  • ChemSpider ID29785849

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-[[(3,3'-difluoro[1,1'-biphenyl]-4-yl)carbonyl]amino]-N-4-pyridinyl-, (αS)- [ACD/Index Name]
3,3'-Difluor-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
3,3'-Difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphenylcarboxamide [ACD/IUPAC Name]
3,3'-Difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyridinylamino)-2-propanyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
3,3'-Difluoro-N-[(2s)-3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl]biphenyl-4-Carboxamide
18I

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 430.5±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 137.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 406.33
ACD/KOC (pH 5.5): 1820.12
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.16
ACD/KOC (pH 7.4): 5783.65
Polar Surface Area: 87 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 364.2±3.0 cm3

Click to predict properties on the Chemicalize site


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