ChemSpider 2D Image | 6-[(2S)-2-(4-Cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethoxy]-4'-(trifluoromethoxy)-3-biphenylcarbonitrile | C27H19F3N4O3

6-[(2S)-2-(4-Cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethoxy]-4'-(trifluoromethoxy)-3-biphenylcarbonitrile

  • Molecular FormulaC27H19F3N4O3
  • Average mass504.460 Da
  • Monoisotopic mass504.140930 Da
  • ChemSpider ID4953633

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-[(2S)-2-(4-Cyanophenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethoxy]-4'-(trifluoromethoxy)-3-biphenylcarbonitrile [ACD/IUPAC Name]
6-[(2S)-2-(4-Cyanophényl)-2-hydroxy-2-(1-méthyl-1H-imidazol-5-yl)éthoxy]-4'-(trifluorométhoxy)-3-biphénylcarbonitrile [French] [ACD/IUPAC Name]
6-[(2S)-2-(4-Cyanphenyl)-2-hydroxy-2-(1-methyl-1H-imidazol-5-yl)ethoxy]-4'-(trifluormethoxy)-3-biphenylcarbonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(1S)-2-[[5-cyano-4'-(trifluoromethoxy)[1,1'-biphenyl]-2-yl]oxy]-1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)ethyl]- [ACD/Index Name]
4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
450839-40-4 [RN]
450839-40-4 (free base)
ABT100
FNTB

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

A-409100 [DBID]
ABT 100 [DBID]
ABT-100 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 181.64
ACD/KOC (pH 5.5): 865.00
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1028.72
ACD/KOC (pH 7.4): 4898.98
Polar Surface Area: 104 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 390.5±7.0 cm3

Click to predict properties on the Chemicalize site


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