ChemSpider 2D Image | [1-(2,4-Dichloro-3-{[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl}benzoyl)-4-piperidinyl]acetic acid | C24H20Cl3F3N2O3

[1-(2,4-Dichloro-3-{[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl}benzoyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC24H20Cl3F3N2O3
  • Average mass547.781 Da
  • Monoisotopic mass546.049133 Da
  • ChemSpider ID114951727

More details:

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

[1-(2,4-Dichlor-3-{[7-chlor-5-(trifluormethyl)-1H-indol-1-yl]methyl}benzoyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
[1-(2,4-Dichloro-3-{[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl}benzoyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl]benzoyl]- [ACD/Index Name]
Acide [1-(2,4-dichloro-3-{[7-chloro-5-(trifluorométhyl)-1H-indol-1-yl]méthyl}benzoyl)-4-pipéridinyl]acétique [French] [ACD/IUPAC Name]
2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid
2055496-11-0 [RN]
Cedirogant

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.8±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 2593.21
ACD/KOC (pH 5.5): 5370.44
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 40.89
ACD/KOC (pH 7.4): 84.69
Polar Surface Area: 63 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 359.8±7.0 cm3

Click to predict properties on the Chemicalize site


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