Found 141 results

Search term: MF = 'C_{20}H_{22}F_{2}N_{4}O_{4}'
ChemSpider 2D Image | (3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3,5-difluorobenzoate | C20H22F2N4O4

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3,5-difluorobenzoate

  • Molecular FormulaC20H22F2N4O4
  • Average mass420.410 Da
  • Monoisotopic mass420.160919 Da
  • ChemSpider ID31263290

More details:

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

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3,5-difluorobenzoate [ACD/IUPAC Name]
(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-3,5-difluorbenzoat [German] [ACD/IUPAC Name]
3,5-Difluorobenzoate de (3-butyl-2,6-dioxo-7-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-difluoro-, (3-butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.01
ACD/KOC (pH 5.5): 2078.83
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.15
ACD/KOC (pH 7.4): 2066.09
Polar Surface Area: 94 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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