Found 141 results

Search term: MF = 'C_{20}H_{22}F_{2}N_{4}O_{4}'
ChemSpider 2D Image | Ethyl [3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate | C20H22F2N4O4

Ethyl [3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate

  • Molecular FormulaC20H22F2N4O4
  • Average mass420.410 Da
  • Monoisotopic mass420.160919 Da
  • ChemSpider ID22715488

More details:

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

[3-(2,4-Difluorophényl)-1-(3-méthylbutyl)-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 3-(2,4-difluorophenyl)-1,2,3,6-tetrahydro-1-(3-methylbutyl)-2,6-dioxo-, ethyl ester [ACD/Index Name]
Ethyl [3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate [ACD/IUPAC Name]
Ethyl-[3-(2,4-difluorphenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 576.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 105.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.69
ACD/KOC (pH 5.5): 1200.44
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.69
ACD/KOC (pH 7.4): 1200.44
Polar Surface Area: 85 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 307.4±7.0 cm3

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