ChemSpider 2D Image | 3-{[5-Chloro-2-(cyclopentyloxy)benzoyl]amino}-2-(tetrahydro-2H-pyran-4-yl)propanoic acid | C20H26ClNO5

3-{[5-Chloro-2-(cyclopentyloxy)benzoyl]amino}-2-(tetrahydro-2H-pyran-4-yl)propanoic acid

  • Molecular FormulaC20H26ClNO5
  • Average mass395.877 Da
  • Monoisotopic mass395.149963 Da
  • ChemSpider ID58046151

More details:






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

2H-Pyran-4-acetic acid, α-[[[5-chloro-2-(cyclopentyloxy)benzoyl]amino]methyl]tetrahydro- [ACD/Index Name]
3-{[5-Chlor-2-(cyclopentyloxy)benzoyl]amino}-2-(tetrahydro-2H-pyran-4-yl)propansäure [German] [ACD/IUPAC Name]
3-{[5-Chloro-2-(cyclopentyloxy)benzoyl]amino}-2-(tetrahydro-2H-pyran-4-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-{[5-chloro-2-(cyclopentyloxy)benzoyl]amino}-2-(tétrahydro-2H-pyran-4-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 22.80
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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