ChemSpider 2D Image | 6-Chloro-3-{1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1H-indole-2-carboxylic acid | C30H29Cl2N3O5

6-Chloro-3-{1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1H-indole-2-carboxylic acid

  • Molecular FormulaC30H29Cl2N3O5
  • Average mass582.474 Da
  • Monoisotopic mass581.148438 Da
  • ChemSpider ID34258859

More details:

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

1H-Indole-2-carboxylic acid, 6-chloro-3-[1-[[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]formylamino]-2-[(1,1-dimethylethyl)amino]-2-oxoethyl]- [ACD/Index Name]
6-Chlor-3-{1-[{4-[(4-chlorbenzyl)oxy]benzyl}(formyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-3-{1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-chloro-3-{1-[{4-[(4-chlorobenzyl)oxy]benzyl}(formyl)amino]-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 874.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 482.4±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 212.33
ACD/KOC (pH 5.5): 470.86
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 30.98
Polar Surface Area: 112 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 426.9±3.0 cm3

Click to predict properties on the Chemicalize site


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