ChemSpider 2D Image | 5-{4-[5-(Methoxycarbonyl)-2-naphthyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | C21H20N2O6

5-{4-[5-(Methoxycarbonyl)-2-naphthyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid

  • Molecular FormulaC21H20N2O6
  • Average mass396.393 Da
  • Monoisotopic mass396.132141 Da
  • ChemSpider ID35034569

More details:

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

4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-5-[4-[5-(methoxycarbonyl)-2-naphthalenyl]butyl]-2,6-dioxo- [ACD/Index Name]
5-{4-[5-(Methoxycarbonyl)-2-naphthyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5-{4-[5-(Methoxycarbonyl)-2-naphthyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
5-{4-[5-(Methoxycarbonyl)naphthalen-2-Yl]butyl}-2,6-Dioxo-1,2,3,6-Tetrahydropyrimidine-4-Carboxylic Acid
Acide 5-{4-[5-(méthoxycarbonyl)-2-naphtyl]butyl}-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
W87

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 296.3±3.0 cm3

Click to predict properties on the Chemicalize site


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