ChemSpider 2D Image | 5-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid | C28H22Cl2N2O4

5-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid

  • Molecular FormulaC28H22Cl2N2O4
  • Average mass521.391 Da
  • Monoisotopic mass520.095642 Da
  • ChemSpider ID26325212

More details:






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

1H-Indole-2-carboxylic acid, 5-[4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]- [ACD/Index Name]
5-(4-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
5-(4-{[3-(2,6-Dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-(4-{[3-(2,6-dichlorophényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}phényl)-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
034
5-(4-{[3-(2,6-Dichlorophenyl)-5-(Propan-2-Yl)-1,2-Oxazol-4-Yl]methoxy}phenyl)-1h-Indole-2-Carboxylic Acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 8809.82
ACD/KOC (pH 5.5): 10233.88
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 226.86
ACD/KOC (pH 7.4): 263.53
Polar Surface Area: 88 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 379.7±3.0 cm3

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