ChemSpider 2D Image | 2'-{(1R)-1-[(2R)-3-{[1-(3-Chloro-4-fluorophenyl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]ethyl}-3-methyl-4-biphenylcarboxylic acid | C29H33ClFNO4

2'-{(1R)-1-[(2R)-3-{[1-(3-Chloro-4-fluorophenyl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]ethyl}-3-methyl-4-biphenylcarboxylic acid

  • Molecular FormulaC29H33ClFNO4
  • Average mass514.028 Da
  • Monoisotopic mass513.208191 Da
  • ChemSpider ID58922333

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carboxylic acid, 2'-[(1R)-1-[(2R)-3-[[2-(3-chloro-4-fluorophenyl)-1,1-dimethylethyl]amino]-2-hydroxypropoxy]ethyl]-3-methyl- [ACD/Index Name]
2'-{(1R)-1-[(2R)-3-{[1-(3-Chlor-4-fluorphenyl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]ethyl}-3-methyl-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2'-{(1R)-1-[(2R)-3-{[1-(3-Chloro-4-fluorophenyl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]ethyl}-3-methyl-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2'-{(1R)-1-[(2R)-3-{[1-(3-chloro-4-fluorophényl)-2-méthyl-2-propanyl]amino}-2-hydroxypropoxy]éthyl}-3-méthyl-4-biphénylcarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 311.15
ACD/KOC (pH 5.5): 411.03
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 305.27
ACD/KOC (pH 7.4): 403.26
Polar Surface Area: 79 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 422.6±3.0 cm3

Click to predict properties on the Chemicalize site


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