ChemSpider 2D Image | (2S)-3-{2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}-2-phenylpropanoic acid | C28H24ClNO6

(2S)-3-{2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}-2-phenylpropanoic acid

  • Molecular FormulaC28H24ClNO6
  • Average mass505.946 Da
  • Monoisotopic mass505.129211 Da
  • ChemSpider ID34993008

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{2-[1-(4-Chlorbenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}-2-phenylpropansäure [German] [ACD/IUPAC Name]
(2S)-3-{2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}-2-phenylpropanoic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (2S)-2-carboxy-2-phenylethyl ester [ACD/Index Name]
Acide (2S)-3-{2-[1-(4-chlorobenzoyl)-5-méthoxy-2-méthyl-1H-indol-3-yl]acétoxy}-2-phénylpropanoïque [French] [ACD/IUPAC Name]
2-CARBOXY-2-PHENYLETHYL 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOLE-3-ACETATE
65189-78-8 [RN]
UNII-P8NV2308A2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 134.21
ACD/KOC (pH 5.5): 317.96
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 9.36
Polar Surface Area: 95 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 389.2±7.0 cm3

Click to predict properties on the Chemicalize site


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