ChemSpider 2D Image | 4-((2-(Tert-Butyl)phenyl)amino)-7-(3,5-Dimethylisoxazol-4-Yl)-6-Methoxy-1,5-Naphthyridine-3-Carboxylic Acid | C25H26N4O4

4-((2-(Tert-Butyl)phenyl)amino)-7-(3,5-Dimethylisoxazol-4-Yl)-6-Methoxy-1,5-Naphthyridine-3-Carboxylic Acid

  • Molecular FormulaC25H26N4O4
  • Average mass446.498 Da
  • Monoisotopic mass446.195404 Da
  • ChemSpider ID35035666

More details:

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

1,5-Naphthyridine-3-carboxylic acid, 4-[[2-(1,1-dimethylethyl)phenyl]amino]-7-(3,5-dimethyl-4-isoxazolyl)-6-methoxy- [ACD/Index Name]
4-((2-(Tert-Butyl)phenyl)amino)-7-(3,5-Dimethylisoxazol-4-Yl)-6-Methoxy-1,5-Naphthyridine-3-Carboxylic Acid
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-1,5-naphthyridin-3-carbonsäure [German] [ACD/IUPAC Name]
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-{[2-(2-methyl-2-propanyl)phenyl]amino}-1,5-naphthyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 7-(3,5-diméthyl-1,2-oxazol-4-yl)-6-méthoxy-4-{[2-(2-méthyl-2-propanyl)phényl]amino}-1,5-naphtyridine-3-carboxylique [French] [ACD/IUPAC Name]
9BM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.1±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 103.36
ACD/KOC (pH 5.5): 195.04
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 24.57
ACD/KOC (pH 7.4): 46.36
Polar Surface Area: 110 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 353.1±3.0 cm3

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