ChemSpider 2D Image | N-(3-Chloro-4-isopropoxy-5-methoxybenzoyl)-N-(tetrahydro-2H-pyran-4-yl)-beta-alanine | C19H26ClNO6

N-(3-Chloro-4-isopropoxy-5-methoxybenzoyl)-N-(tetrahydro-2H-pyran-4-yl)-β-alanine

  • Molecular FormulaC19H26ClNO6
  • Average mass399.866 Da
  • Monoisotopic mass399.144867 Da
  • ChemSpider ID64084717

More details:

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

N-(3-Chlor-4-isopropoxy-5-methoxybenzoyl)-N-(tetrahydro-2H-pyran-4-yl)-β-alanin [German] [ACD/IUPAC Name]
N-(3-Chloro-4-isopropoxy-5-methoxybenzoyl)-N-(tetrahydro-2H-pyran-4-yl)-β-alanine [ACD/IUPAC Name]
N-(3-Chloro-4-isopropoxy-5-méthoxybenzoyl)-N-(tétrahydro-2H-pyran-4-yl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[3-chloro-5-methoxy-4-(1-methylethoxy)benzoyl]-N-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
3-[1-(3-CHLORO-4-ISOPROPOXY-5-METHOXYPHENYL)-N-(OXAN-4-YL)FORMAMIDO]PROPANOIC ACID
3-{1-[3-CHLORO-5-METHOXY-4-(PROPAN-2-YLOXY)PHENYL]-N-(OXAN-4-YL)FORMAMIDO}PROPANOIC ACID

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.5±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 33.99
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 311.4±5.0 cm3

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