ChemSpider 2D Image | 3-[(Cyclohexylmethyl){3-methoxy-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino]-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid | C33H41N3O7

3-[(Cyclohexylmethyl){3-methoxy-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino]-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID76761673

More details:

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

3-[(Cyclohexylmethyl){3-methoxy-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino]-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid [ACD/IUPAC Name]
3-[(Cyclohexylmethyl){3-methoxy-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino]-3-(2,3-dihydro-1-benzofuran-5-yl)propansäure [German] [ACD/IUPAC Name]
5-Benzofuranpropanoic acid, β-[(cyclohexylmethyl)[[4-[2-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethoxy]-3-methoxyphenyl]methyl]amino]-2,3-dihydro- [ACD/Index Name]
Acide 3-[(cyclohexylméthyl){3-méthoxy-4-[2-(3-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)éthoxy]benzyl}amino]-3-(2,3-dihydro-1-benzofuran-5-yl)propanoïque [French] [ACD/IUPAC 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: 721.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.8±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 11.04
ACD/KOC (pH 5.5): 40.13
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 6.01
ACD/KOC (pH 7.4): 21.83
Polar Surface Area: 109 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

Click to predict properties on the Chemicalize site


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