Found 1701 results

Search term: MF = 'C_{28}H_{29}N_{5}O_{4}'
ChemSpider 2D Image | Ethyl 4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate | C28H29N5O4

Ethyl 4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate

  • Molecular FormulaC28H29N5O4
  • Average mass499.561 Da
  • Monoisotopic mass499.221954 Da
  • ChemSpider ID22752253

More details:

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

4-(6-Butyl-1,3-diméthyl-2,4-dioxo-7-phényl-1,2,3,4-tétrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(6-butyl-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-7-phenyl-8H-imidazo[2,1-f]purin-8-yl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate [ACD/IUPAC Name]
Ethyl-4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoat [German] [ACD/IUPAC Name]
4-(3-Butyl-5,7-dimethyl-4,6-dioxo-2-phenyl-4,5,6,7-tetrahydro-1,3a,5,7,8-pentaaza-cyclopenta[a]inden-1-yl)-benzoic acid ethyl ester
ethyl 4-(6-butyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purin-8-yl)benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3171.74
ACD/KOC (pH 5.5): 8776.42
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7273.60
ACD/KOC (pH 7.4): 20126.58
Polar Surface Area: 89 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 382.9±7.0 cm3

Click to predict properties on the Chemicalize site


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