ChemSpider 2D Image | Methyl 4-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-2-biphenylcarboxylate | C22H19ClF4N2O4

Methyl 4-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-2-biphenylcarboxylate

  • Molecular FormulaC22H19ClF4N2O4
  • Average mass486.844 Da
  • Monoisotopic mass486.096954 Da
  • ChemSpider ID23294397

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4-chloro-3'-fluoro-4'-[(1R)-1-[[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropyl]carbonyl]amino]ethyl]-, methyl ester [ACD/Index Name]
4-Chloro-3'-fluoro-4'-{(1R)-1-[({1-[(2,2,2-trifluoroacétyl)amino]cyclopropyl}carbonyl)amino]éthyl}-2-biphénylcarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-2-biphenylcarboxylate [ACD/IUPAC Name]
methyl 4-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}biphenyl-2-carboxylate
Methyl-4-chlor-3'-fluor-4'-{(1R)-1-[({1-[(trifluoracetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-2-biphenylcarboxylat [German] [ACD/IUPAC Name]
4-chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester
CHEMBL233150

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 346.35
ACD/KOC (pH 5.5): 2287.43
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.49
ACD/KOC (pH 7.4): 2228.90
Polar Surface Area: 85 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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