ChemSpider 2D Image | 7-(4-{[3-(2,6-Dimethylphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-3-isoquinolinecarboxylic acid | C31H28N2O4

7-(4-{[3-(2,6-Dimethylphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-3-isoquinolinecarboxylic acid

  • Molecular FormulaC31H28N2O4
  • Average mass492.565 Da
  • Monoisotopic mass492.204895 Da
  • ChemSpider ID26328440

More details:






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

3-Isoquinolinecarboxylic acid, 7-[4-[[3-(2,6-dimethylphenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]- [ACD/Index Name]
7-(4-{[3-(2,6-Dimethylphenyl)-5-(1-Methylethyl)isoxazol-4-Yl]methoxy}phenyl)isoquinoline-3-Carboxylic Acid
7-(4-{[3-(2,6-Dimethylphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
7-(4-{[3-(2,6-Dimethylphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-(4-{[3-(2,6-diméthylphényl)-5-isopropyl-1,2-oxazol-4-yl]méthoxy}phényl)-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
P88

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 373.46
ACD/KOC (pH 5.5): 618.37
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 55.11
ACD/KOC (pH 7.4): 91.24
Polar Surface Area: 85 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

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