ChemSpider 2D Image | 3-(4-Chlorophenyl)-3-[(cyclopropylmethyl){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-[(cyclopropylmethyl){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 ID76816858

More details:

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

3-(4-Chlorophenyl)-3-[(cyclopropylmethyl){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-[(cyclopropylmethyl){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-[(cyclopropylméthyl){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-[(cyclopropylmethyl)[[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: 656.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.8±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 20.69
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 9.51
Polar Surface Area: 90 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

Click to predict properties on the Chemicalize site


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