ChemSpider 2D Image | 3-[(5-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid | C29H24Cl2N2O4

3-[(5-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid

  • Molecular FormulaC29H24Cl2N2O4
  • Average mass535.418 Da
  • Monoisotopic mass534.111328 Da
  • ChemSpider ID24626157

More details:

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

3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid
3-[(5-{[3-(2,6-Dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid [ACD/IUPAC Name]
3-[(5-{[3-(2,6-Dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 3-[(5-{[3-(2,6-dichlorophényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}-1H-indol-1-yl)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[5-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]-1H-indol-1-yl]methyl]- [ACD/Index Name]

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

088 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.2±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 7367.62
ACD/KOC (pH 5.5): 8711.34
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 200.42
ACD/KOC (pH 7.4): 236.97
Polar Surface Area: 77 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 396.2±7.0 cm3

Click to predict properties on the Chemicalize site


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