ChemSpider 2D Image | 3-(4-Chlorophenyl)-3-(cyclobutyl{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)propanoic acid | C28H32ClN3O5

3-(4-Chlorophenyl)-3-(cyclobutyl{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)propanoic acid

  • Molecular FormulaC28H32ClN3O5
  • Average mass526.024 Da
  • Monoisotopic mass525.203064 Da
  • ChemSpider ID76817642

More details:

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

3-(4-Chlorophenyl)-3-(cyclobutyl{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)propanoic acid [ACD/IUPAC Name]
3-(4-Chlorphenyl)-3-(cyclobutyl{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide 3-(4-chlorophényl)-3-(cyclobutyl{3-méthyl-4-[2-(3-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)éthoxy]benzyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-chloro-β-[cyclobutyl[[4-[2-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethoxy]-3-methylphenyl]methyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.0±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 17.00
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 9.99
Polar Surface Area: 90 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 390.1±5.0 cm3

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