ChemSpider 2D Image | Methyl [3-acetyl-1-(2-{(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}-2-oxoethyl)-1H-indol-6-yl]acetate | C28H27ClFN3O5

Methyl [3-acetyl-1-(2-{(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}-2-oxoethyl)-1H-indol-6-yl]acetate

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID58908022

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[3-Acétyl-1-(2-{(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}-2-oxoéthyl)-1H-indol-6-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-6-acetic acid, 3-acetyl-1-[2-[(1R,3S,5R)-3-[[[(3-chloro-2-fluorophenyl)methyl]amino]carbonyl]-2-azabicyclo[3.1.0]hex-2-yl]-2-oxoethyl]-, methyl ester [ACD/Index Name]
Methyl [3-acetyl-1-(2-{(1R,3S,5R)-3-[(3-chloro-2-fluorobenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}-2-oxoethyl)-1H-indol-6-yl]acetate [ACD/IUPAC Name]
Methyl-[3-acetyl-1-(2-{(1R,3S,5R)-3-[(3-chlor-2-fluorbenzyl)carbamoyl]-2-azabicyclo[3.1.0]hex-2-yl}-2-oxoethyl)-1H-indol-6-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.90
ACD/KOC (pH 5.5): 1327.33
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.90
ACD/KOC (pH 7.4): 1327.33
Polar Surface Area: 98 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 372.5±7.0 cm3

Click to predict properties on the Chemicalize site


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