ChemSpider 2D Image | 3-[(3-Chloro-5-methoxy-4-propoxybenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid | C19H26ClNO6

3-[(3-Chloro-5-methoxy-4-propoxybenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID58043320

More details:

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

2H-Pyran-4-acetic acid, α-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]tetrahydro- [ACD/Index Name]
3-[(3-Chlor-5-methoxy-4-propoxybenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propansäure [German] [ACD/IUPAC Name]
3-[(3-Chloro-5-methoxy-4-propoxybenzoyl)amino]-2-(tetrahydro-2H-pyran-4-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-[(3-chloro-5-méthoxy-4-propoxybenzoyl)amino]-2-(tétrahydro-2H-pyran-4-yl)propanoïque [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: 544.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.3±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 33.12
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

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