ChemSpider 2D Image | N'-[(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-5,6-dihydro-1,4-dioxine-2-carbohydrazide | C21H22N6O6

N'-[(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-5,6-dihydro-1,4-dioxine-2-carbohydrazide

  • Molecular FormulaC21H22N6O6
  • Average mass454.436 Da
  • Monoisotopic mass454.160095 Da
  • ChemSpider ID22453235

More details:

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

1H-Purine-1-acetic acid, 7-ethyl-2,3,6,7-tetrahydro-2,6-dioxo-3-(phenylmethyl)-, 2-[(5,6-dihydro-1,4-dioxin-2-yl)carbonyl]hydrazide [ACD/Index Name]
N'-[(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-5,6-dihydro-1,4-dioxin-2-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(3-Benzyl-7-ethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetyl]-5,6-dihydro-1,4-dioxine-2-carbohydrazide [ACD/IUPAC Name]
N'-[2-(3-Benzyl-7-éthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-1-yl)acétyl]-5,6-dihydro-1,4-dioxine-2-carbohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 116.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 41.32
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 41.30
Polar Surface Area: 135 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 304.0±7.0 cm3

Click to predict properties on the Chemicalize site


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