ChemSpider 2D Image | 6-(4-{[3-(3,5-Dichloro-4-pyridinyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid | C29H25Cl2N3O4

6-(4-{[3-(3,5-Dichloro-4-pyridinyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid

  • Molecular FormulaC29H25Cl2N3O4
  • Average mass550.432 Da
  • Monoisotopic mass549.122192 Da
  • ChemSpider ID24692725

More details:

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

1H-Indole-3-carboxylic acid, 6-[4-[[3-(3,5-dichloro-4-pyridinyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]-2-methylphenyl]-1-methyl- [ACD/Index Name]
6-(4-{[3-(3,5-Dichlor-4-pyridinyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-(4-{[3-(3,5-Dichloro-4-pyridinyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
6-(4-{[3-(3,5-Dichloropyridin-4-Yl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}-2-Methylphenyl)-1-Methyl-1h-Indole-3-Carboxylic Acid
Acide 6-(4-{[3-(3,5-dichloro-4-pyridinyl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}-2-méthylphényl)-1-méthyl-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
6-(4-((3-(3,5-dichloropyridin-4-yl)-5-isopropylisoxazol-4-yl)methoxy)-2-methylphenyl)-1-methyl-1H-indole-3-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466323/

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

643 [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: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 6275.97
ACD/KOC (pH 5.5): 6986.74
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 208.98
ACD/KOC (pH 7.4): 232.64
Polar Surface Area: 90 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 399.1±7.0 cm3

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