ChemSpider 2D Image | 4-[(2-Tert-Butylphenyl)amino]-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid | C25H25N3O3

4-[(2-Tert-Butylphenyl)amino]-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid

  • Molecular FormulaC25H25N3O3
  • Average mass415.484 Da
  • Monoisotopic mass415.189606 Da
  • ChemSpider ID28532360

More details:

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

3-Quinolinecarboxylic acid, 4-[[2-(1,1-dimethylethyl)phenyl]amino]-7-(3,5-dimethyl-4-isoxazolyl)- [ACD/Index Name]
4-[(2-Tert-Butylphenyl)amino]-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-(3,5-diméthyl-1,2-oxazol-4-yl)-4-{[2-(2-méthyl-2-propanyl)phényl]amino}-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
4-[(2-Tert-Butylphenyl)amino]-7-(3,5- Dimethyl -1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid
S5b

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

Density: 1.2±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 1378.62
ACD/KOC (pH 5.5): 2027.43
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 97.06
ACD/KOC (pH 7.4): 142.74
Polar Surface Area: 88 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement