ChemSpider 2D Image | {1-[(5-Chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid | C26H22ClN3O2S

{1-[(5-Chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid

  • Molecular FormulaC26H22ClN3O2S
  • Average mass475.990 Da
  • Monoisotopic mass475.112122 Da
  • ChemSpider ID34545239

More details:

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

{1-[(5-Chlor-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}essigsäure [German] [ACD/IUPAC Name]
{1-[(5-Chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid [ACD/IUPAC Name]
1H-Indole-3-acetic acid, 1-[(5-chloro-2-methylbenzo[b]thien-3-yl)methyl]-6-(3,5-diaminophenyl)- [ACD/Index Name]
Acide {1-[(5-chloro-2-méthyl-1-benzothiophén-3-yl)méthyl]-6-(3,5-diaminophényl)-1H-indol-3-yl}acétique [French] [ACD/IUPAC Name]
I79

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 416.27
ACD/KOC (pH 5.5): 1239.27
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 7.73
ACD/KOC (pH 7.4): 23.00
Polar Surface Area: 123 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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