ChemSpider 2D Image | 3-(3-Butyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2,5-dichlorophenyl)propanamide | C23H29Cl2N5O3

3-(3-Butyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2,5-dichlorophenyl)propanamide

  • Molecular FormulaC23H29Cl2N5O3
  • Average mass494.414 Da
  • Monoisotopic mass493.164734 Da
  • ChemSpider ID31214356

More details:

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

1H-Purine-8-propanamide, 3-butyl-N-(2,5-dichlorophenyl)-2,3,6,7-tetrahydro-2,6-dioxo-7-pentyl- [ACD/Index Name]
3-(3-Butyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2,5-dichlorophenyl)propanamide [ACD/IUPAC Name]
3-(3-Butyl-2,6-dioxo-7-pentyl-2,3,6,7-tétrahydro-1H-purin-8-yl)-N-(2,5-dichlorophényl)propanamide [French] [ACD/IUPAC Name]
3-(3-Butyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2,5-dichlorphenyl)propanamid [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5070.62
ACD/KOC (pH 5.5): 15619.53
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5051.94
ACD/KOC (pH 7.4): 15561.98
Polar Surface Area: 96 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 361.4±7.0 cm3

Click to predict properties on the Chemicalize site


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