ChemSpider 2D Image | [4-(3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid | C35H32ClF3N2O3

[4-(3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid

  • Molecular FormulaC35H32ClF3N2O3
  • Average mass621.088 Da
  • Monoisotopic mass620.205383 Da
  • ChemSpider ID24687203

More details:

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

[4-(3-{[2-Chlor-3-(trifluormethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-(3-{[2-Chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid [ACD/IUPAC Name]
1H-Indole-1-acetic acid, 4-[3-[[[2-chloro-3-(trifluoromethyl)phenyl]methyl](2,2-diphenylethyl)amino]propoxy]- [ACD/Index Name]
Acide [4-(3-{[2-chloro-3-(trifluorométhyl)benzyl](2,2-diphényléthyl)amino}propoxy)-1H-indol-1-yl]acétique [French] [ACD/IUPAC Name]
1H-indol-1-yl tertiary amine, 18
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446208/
LX2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 166.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 1984.47
ACD/KOC (pH 5.5): 1686.16
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 744.46
ACD/KOC (pH 7.4): 632.56
Polar Surface Area: 55 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 498.3±7.0 cm3

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