ChemSpider 2D Image | 4-{[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]methyl}tetrahydro-2H-pyran-4-carboxylic acid | C19H26ClNO6

4-{[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]methyl}tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID54594196

More details:

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

2H-Pyran-4-carboxylic acid, 4-[[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]methyl]tetrahydro- [ACD/Index Name]
4-{[(3-Chlor-4-isobutoxy-5-methoxybenzoyl)amino]methyl}tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-{[(3-Chloro-4-isobutoxy-5-methoxybenzoyl)amino]methyl}tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-{[(3-chloro-4-isobutoxy-5-méthoxybenzoyl)amino]méthyl}tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 26.11
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 323.8±3.0 cm3

Click to predict properties on the Chemicalize site


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